Product Name

  • Name

    Benzamide, 2,3-diamino-

  • EINECS
  • CAS No. 711007-44-2
  • Article Data20
  • CAS DataBase
  • Density 1.341g/cm3
  • Solubility
  • Melting Point
  • Formula C7H9N3O
  • Boiling Point 315.03 °C at 760 mmHg
  • Molecular Weight 151.168
  • Flash Point 144.325 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 711007-44-2 (Benzamide, 2,3-diamino-)
  • Hazard Symbols
  • Synonyms 2,3-Diaminobenzamide;
  • PSA 95.13000
  • LogP 1.81260

Synthetic route

2-amino-3-nitro-benzamide
313279-12-8

2-amino-3-nitro-benzamide

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol100%
With hydrogen; palladium 10% on activated carbon In methanol at 20℃; under 1500.15 Torr; for 5h;98%
With palladium 10% on activated carbon; hydrogen In methanol; water at 20℃; under 1500.15 Torr; for 5h;98%
di-nitrophenylcarboxamide
19613-80-0

di-nitrophenylcarboxamide

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol; N,N-dimethyl-formamide at 20℃; under 760 Torr; for 16h;79%
2,3-di-nitrobenzoic acid
15147-64-5

2,3-di-nitrobenzoic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 42 percent / ammonium carbonate; CDI / dimethylformamide / 24.5 h / 20 °C
2: 79 percent / H2 / Pd/C / ethanol; dimethylformamide / 16 h / 20 °C / 760 Torr
View Scheme
3-nitroanthranilic acid
606-18-8

3-nitroanthranilic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: SOCl2 / tetrahydrofuran; dimethylformamide / 20 °C
2: conc. aq. NH3 / tetrahydrofuran; dimethylformamide
3: H2 / 10percent Pd/C / methanol / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C
2: ammonia / water / 1 h / 10 - 50 °C
3: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C / 1500.15 Torr
View Scheme
Multi-step reaction with 2 steps
1.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C
1.2: 10 - 50 °C
2.1: hydrogen; palladium 10% on activated carbon / water; methanol / 5 h / 20 °C / 1500.15 Torr
View Scheme
2-carbamoyl-3-nitrobenzoic acid
77326-45-5

2-carbamoyl-3-nitrobenzoic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / Br2; aq. KOH / 3 h / 60 °C
2: SOCl2 / tetrahydrofuran; dimethylformamide / 20 °C
3: conc. aq. NH3 / tetrahydrofuran; dimethylformamide
4: H2 / 10percent Pd/C / methanol / 760.05 Torr
View Scheme
2-amino-3-nitrobenzoyl chloride
131645-73-3

2-amino-3-nitrobenzoyl chloride

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: conc. aq. NH3 / tetrahydrofuran; dimethylformamide
2: H2 / 10percent Pd/C / methanol / 760.05 Torr
View Scheme
Multi-step reaction with 2 steps
1: ammonia / water / 1 h / 10 - 50 °C
2: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C / 1500.15 Torr
View Scheme
Multi-step reaction with 2 steps
1: ammonium hydroxide / 40 °C / Large scale
2: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
C7H10N4O
1314951-83-1

C7H10N4O

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
nickel In DMF (N,N-dimethyl-formamide); water at 100℃; for 8h;
With hydrazine In DMF (N,N-dimethyl-formamide); water; butan-1-ol at 100℃; for 2h;
C7H5FN2O3

C7H5FN2O3

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With sodium azide; palladium 10% on activated carbon
morpholine
110-91-8

morpholine

2,4-dinitrobenzoic acid
610-30-0

2,4-dinitrobenzoic acid

A

N-(2,4-dinitrobenzoyl)morpholine

N-(2,4-dinitrobenzoyl)morpholine

B

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With sodium hydrogencarbonate; trichlorophosphate In toluene
...Expand
3-nitrophthalic acid
603-11-2

3-nitrophthalic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: acetic anhydride / Isopropyl acetate / 60 °C / Inert atmosphere; Large scale
2.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
2.2: 20 °C / Inert atmosphere; Large scale
3.1: potassium hydroxide; bromine / water / 1.5 h / 0 - 75 °C / Inert atmosphere; Large scale
4.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
5.1: ammonium hydroxide / 40 °C / Large scale
6.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
Multi-step reaction with 6 steps
1.1: acetic anhydride / Isopropyl acetate / 60 °C / Inert atmosphere; Large scale
2.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
2.2: 20 °C / Inert atmosphere; Large scale
3.1: potassium hydroxide; potassium bromide; potassium hypobromite / water / 75 °C
4.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
5.1: ammonium hydroxide / 40 °C / Large scale
6.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
3-nitrophthalic acid anhydride
641-70-3

3-nitrophthalic acid anhydride

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
1.2: 20 °C / Inert atmosphere; Large scale
2.1: potassium hydroxide; bromine / water / 1.5 h / 0 - 75 °C / Inert atmosphere; Large scale
3.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
4.1: ammonium hydroxide / 40 °C / Large scale
5.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
Multi-step reaction with 5 steps
1.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
1.2: 20 °C / Inert atmosphere; Large scale
2.1: potassium hydroxide; potassium bromide; potassium hypobromite / water / 75 °C
3.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
4.1: ammonium hydroxide / 40 °C / Large scale
5.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
2-(aminocarbonyl)-3-nitrobenzoic acid potassium salt

2-(aminocarbonyl)-3-nitrobenzoic acid potassium salt

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium hydroxide; bromine / water / 1.5 h / 0 - 75 °C / Inert atmosphere; Large scale
2: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
3: ammonium hydroxide / 40 °C / Large scale
4: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide; potassium bromide; potassium hypobromite / water / 75 °C
2: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
3: ammonium hydroxide / 40 °C / Large scale
4: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
2,3-diaminobenzoic acid
603-81-6

2,3-diaminobenzoic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzoic acid With thionyl chloride In N,N-dimethyl-formamide at 30℃;
Stage #2: With ammonium hydroxide at 50℃; for 3h;
Stage #1: 2,3-diaminobenzoic acid With thionyl chloride In N,N-dimethyl-formamide at 30℃;
Stage #2: With ammonium hydroxide In N,N-dimethyl-formamide at 50℃; for 3h;
m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C15H13N3O

C15H13N3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: m-tolyl aldehyde In ethanol at 20℃; Irradiation; Green chemistry;		95%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

cyclohexanecarbaldehyde
2043-61-0

cyclohexanecarbaldehyde

C14H17N3O

C14H17N3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: cyclohexanecarbaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		90%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

3-carbamoylbenzene-1,2-diaminium dichloride

3-carbamoylbenzene-1,2-diaminium dichloride

Conditions
ConditionsYield
With hydrogenchloride In methanol; isopropyl alcohol at 42℃;89%
With hydrogenchloride In methanol; isopropyl alcohol
With hydrogenchloride In methanol; isopropyl alcohol Heating / reflux;
With hydrogenchloride In ethyl acetate at 30℃; Cooling; Large scale;19.08 kg
3-pyridinecarboxaldehyde
500-22-1

3-pyridinecarboxaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C13H10N4O

C13H10N4O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 3-pyridinecarboxaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		89%
tert butyl 4-formylpiperidine-1-carboxylate
137076-22-3

tert butyl 4-formylpiperidine-1-carboxylate

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

tert-butyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate

Conditions
ConditionsYield
With sodium hydrogensulfite at 130℃; for 5h;88%
nicotinic acid
59-67-6

nicotinic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

N-(2-amino-3-carbamoyl-phenyl)pyridine-3-carboxamide

N-(2-amino-3-carbamoyl-phenyl)pyridine-3-carboxamide

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h;85%
pyridine-4-carbaldehyde
872-85-5

pyridine-4-carbaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C13H10N4O

C13H10N4O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: pyridine-4-carbaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		83%
4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10N4O3

C14H10N4O3

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 4-nitrobenzaldehdye In ethanol at 20℃; Irradiation; Green chemistry;		81%
2-methoxy-isonicotinic acid
105596-63-2

2-methoxy-isonicotinic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

N-(2-amino-3-carbamoyl-phenyl)-2-methoxy-pyridine-4-carboxamide

N-(2-amino-3-carbamoyl-phenyl)-2-methoxy-pyridine-4-carboxamide

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h;81%
1-oxyl-2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde
97188-49-3

1-oxyl-2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

2-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole-4-carboxylic acid amide

2-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole-4-carboxylic acid amide

Conditions
ConditionsYield
With sodium metabisulfite In N,N-dimethyl-formamide at 120℃; for 4h; Inert atmosphere;79%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

3-Fluorobenzaldehyde
456-48-4

3-Fluorobenzaldehyde

C14H10FN3O

C14H10FN3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 3-Fluorobenzaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		79%
furfural
98-01-1

furfural

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C12H9N3O2

C12H9N3O2

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: furfural In ethanol at 20℃; Irradiation; Green chemistry;		78%
3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10N4O3

C14H10N4O3

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 3-nitro-benzaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		77%
2-amino-3-nitro-benzamide
313279-12-8

2-amino-3-nitro-benzamide

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol100%
With hydrogen; palladium 10% on activated carbon In methanol at 20℃; under 1500.15 Torr; for 5h;98%
With palladium 10% on activated carbon; hydrogen In methanol; water at 20℃; under 1500.15 Torr; for 5h;98%
di-nitrophenylcarboxamide
19613-80-0

di-nitrophenylcarboxamide

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol; N,N-dimethyl-formamide at 20℃; under 760 Torr; for 16h;79%
2,3-di-nitrobenzoic acid
15147-64-5

2,3-di-nitrobenzoic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 42 percent / ammonium carbonate; CDI / dimethylformamide / 24.5 h / 20 °C
2: 79 percent / H2 / Pd/C / ethanol; dimethylformamide / 16 h / 20 °C / 760 Torr
View Scheme
3-nitroanthranilic acid
606-18-8

3-nitroanthranilic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: SOCl2 / tetrahydrofuran; dimethylformamide / 20 °C
2: conc. aq. NH3 / tetrahydrofuran; dimethylformamide
3: H2 / 10percent Pd/C / methanol / 760.05 Torr
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C
2: ammonia / water / 1 h / 10 - 50 °C
3: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C / 1500.15 Torr
View Scheme
Multi-step reaction with 2 steps
1.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C
1.2: 10 - 50 °C
2.1: hydrogen; palladium 10% on activated carbon / water; methanol / 5 h / 20 °C / 1500.15 Torr
View Scheme
2-carbamoyl-3-nitrobenzoic acid
77326-45-5

2-carbamoyl-3-nitrobenzoic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / Br2; aq. KOH / 3 h / 60 °C
2: SOCl2 / tetrahydrofuran; dimethylformamide / 20 °C
3: conc. aq. NH3 / tetrahydrofuran; dimethylformamide
4: H2 / 10percent Pd/C / methanol / 760.05 Torr
View Scheme
2-amino-3-nitrobenzoyl chloride
131645-73-3

2-amino-3-nitrobenzoyl chloride

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: conc. aq. NH3 / tetrahydrofuran; dimethylformamide
2: H2 / 10percent Pd/C / methanol / 760.05 Torr
View Scheme
Multi-step reaction with 2 steps
1: ammonia / water / 1 h / 10 - 50 °C
2: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C / 1500.15 Torr
View Scheme
Multi-step reaction with 2 steps
1: ammonium hydroxide / 40 °C / Large scale
2: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
C7H10N4O
1314951-83-1

C7H10N4O

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
nickel In DMF (N,N-dimethyl-formamide); water at 100℃; for 8h;
With hydrazine In DMF (N,N-dimethyl-formamide); water; butan-1-ol at 100℃; for 2h;
C7H5FN2O3

C7H5FN2O3

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With sodium azide; palladium 10% on activated carbon
morpholine
110-91-8

morpholine

2,4-dinitrobenzoic acid
610-30-0

2,4-dinitrobenzoic acid

A

N-(2,4-dinitrobenzoyl)morpholine

N-(2,4-dinitrobenzoyl)morpholine

B

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
With sodium hydrogencarbonate; trichlorophosphate In toluene
...Expand
3-nitrophthalic acid
603-11-2

3-nitrophthalic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: acetic anhydride / Isopropyl acetate / 60 °C / Inert atmosphere; Large scale
2.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
2.2: 20 °C / Inert atmosphere; Large scale
3.1: potassium hydroxide; bromine / water / 1.5 h / 0 - 75 °C / Inert atmosphere; Large scale
4.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
5.1: ammonium hydroxide / 40 °C / Large scale
6.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
Multi-step reaction with 6 steps
1.1: acetic anhydride / Isopropyl acetate / 60 °C / Inert atmosphere; Large scale
2.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
2.2: 20 °C / Inert atmosphere; Large scale
3.1: potassium hydroxide; potassium bromide; potassium hypobromite / water / 75 °C
4.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
5.1: ammonium hydroxide / 40 °C / Large scale
6.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
3-nitrophthalic acid anhydride
641-70-3

3-nitrophthalic acid anhydride

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
1.2: 20 °C / Inert atmosphere; Large scale
2.1: potassium hydroxide; bromine / water / 1.5 h / 0 - 75 °C / Inert atmosphere; Large scale
3.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
4.1: ammonium hydroxide / 40 °C / Large scale
5.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
Multi-step reaction with 5 steps
1.1: ammonium hydroxide / 2.5 h / 0 - 15 °C / Inert atmosphere; Large scale
1.2: 20 °C / Inert atmosphere; Large scale
2.1: potassium hydroxide; potassium bromide; potassium hypobromite / water / 75 °C
3.1: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
4.1: ammonium hydroxide / 40 °C / Large scale
5.1: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
2-(aminocarbonyl)-3-nitrobenzoic acid potassium salt

2-(aminocarbonyl)-3-nitrobenzoic acid potassium salt

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium hydroxide; bromine / water / 1.5 h / 0 - 75 °C / Inert atmosphere; Large scale
2: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
3: ammonium hydroxide / 40 °C / Large scale
4: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide; potassium bromide; potassium hypobromite / water / 75 °C
2: thionyl chloride / 1,2-dimethoxyethane / 12 h / 50 °C / Large scale
3: ammonium hydroxide / 40 °C / Large scale
4: hydrogen / water; ethanol; ethyl acetate / 1.67 h / 40 °C / 2828.7 Torr / Cooling; Large scale
View Scheme
2,3-diaminobenzoic acid
603-81-6

2,3-diaminobenzoic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzoic acid With thionyl chloride In N,N-dimethyl-formamide at 30℃;
Stage #2: With ammonium hydroxide at 50℃; for 3h;
Stage #1: 2,3-diaminobenzoic acid With thionyl chloride In N,N-dimethyl-formamide at 30℃;
Stage #2: With ammonium hydroxide In N,N-dimethyl-formamide at 50℃; for 3h;
m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C15H13N3O

C15H13N3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: m-tolyl aldehyde In ethanol at 20℃; Irradiation; Green chemistry;		95%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

cyclohexanecarbaldehyde
2043-61-0

cyclohexanecarbaldehyde

C14H17N3O

C14H17N3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: cyclohexanecarbaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		90%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

3-carbamoylbenzene-1,2-diaminium dichloride

3-carbamoylbenzene-1,2-diaminium dichloride

Conditions
ConditionsYield
With hydrogenchloride In methanol; isopropyl alcohol at 42℃;89%
With hydrogenchloride In methanol; isopropyl alcohol
With hydrogenchloride In methanol; isopropyl alcohol Heating / reflux;
With hydrogenchloride In ethyl acetate at 30℃; Cooling; Large scale;19.08 kg
3-pyridinecarboxaldehyde
500-22-1

3-pyridinecarboxaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C13H10N4O

C13H10N4O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 3-pyridinecarboxaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		89%
tert butyl 4-formylpiperidine-1-carboxylate
137076-22-3

tert butyl 4-formylpiperidine-1-carboxylate

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

tert-butyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate

Conditions
ConditionsYield
With sodium hydrogensulfite at 130℃; for 5h;88%
nicotinic acid
59-67-6

nicotinic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

N-(2-amino-3-carbamoyl-phenyl)pyridine-3-carboxamide

N-(2-amino-3-carbamoyl-phenyl)pyridine-3-carboxamide

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h;85%
pyridine-4-carbaldehyde
872-85-5

pyridine-4-carbaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C13H10N4O

C13H10N4O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: pyridine-4-carbaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		83%
4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10N4O3

C14H10N4O3

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 4-nitrobenzaldehdye In ethanol at 20℃; Irradiation; Green chemistry;		81%
2-methoxy-isonicotinic acid
105596-63-2

2-methoxy-isonicotinic acid

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

N-(2-amino-3-carbamoyl-phenyl)-2-methoxy-pyridine-4-carboxamide

N-(2-amino-3-carbamoyl-phenyl)-2-methoxy-pyridine-4-carboxamide

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h;81%
1-oxyl-2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde
97188-49-3

1-oxyl-2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

2-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole-4-carboxylic acid amide

2-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole-4-carboxylic acid amide

Conditions
ConditionsYield
With sodium metabisulfite In N,N-dimethyl-formamide at 120℃; for 4h; Inert atmosphere;79%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

3-Fluorobenzaldehyde
456-48-4

3-Fluorobenzaldehyde

C14H10FN3O

C14H10FN3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 3-Fluorobenzaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		79%
furfural
98-01-1

furfural

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C12H9N3O2

C12H9N3O2

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: furfural In ethanol at 20℃; Irradiation; Green chemistry;		78%
3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10N4O3

C14H10N4O3

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 3-nitro-benzaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		77%
(R)-2-Methyl-1-azacyclopentan-2-carbonsaeure
63399-77-9

(R)-2-Methyl-1-azacyclopentan-2-carbonsaeure

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

veliparib
912444-00-9

veliparib

Conditions
ConditionsYield
With hydrogenchloride In water at 75 - 80℃; for 60h; Inert atmosphere;72.1%
2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10ClN3O

C14H10ClN3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 2-chloro-benzaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		72%
4-(4-methylphenyl)-1-phenylbut-3-yn-1-one
852211-44-0

4-(4-methylphenyl)-1-phenylbut-3-yn-1-one

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

2-amino-3-{[(2Z)-1-(methylphenyl)-4-oxo-4-phenylbut-2-en-2-yl]amino}benzamide

2-amino-3-{[(2Z)-1-(methylphenyl)-4-oxo-4-phenylbut-2-en-2-yl]amino}benzamide

Conditions
ConditionsYield
With triethylamine In ethanol at 22℃; for 2h; regioselective reaction;66%
3-Chlorobenzaldehyde
587-04-2

3-Chlorobenzaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10ClN3O

C14H10ClN3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: m-Chlorobenzaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		65%
4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C14H10ClN3O

C14H10ClN3O

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: 4-chlorobenzaldehyde In ethanol at 20℃; Reagent/catalyst; Irradiation; Green chemistry;		65%
thiophene-2-carbaldehyde
98-03-3

thiophene-2-carbaldehyde

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

C12H9N3OS

C12H9N3OS

Conditions
ConditionsYield
Stage #1: 2,3-diaminobenzamide With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol at 20℃; Darkness; Green chemistry;
Stage #2: thiophene-2-carbaldehyde In ethanol at 20℃; Irradiation; Green chemistry;		65%
5-formyl-1,1,3,3-tetramethylisoindolin-2-yloxyl
276885-27-9

5-formyl-1,1,3,3-tetramethylisoindolin-2-yloxyl

2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-5-yl)-1H-benzimidazole-4-carboxylic acid amide
1134350-12-1

2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-5-yl)-1H-benzimidazole-4-carboxylic acid amide

Conditions
ConditionsYield
With sodium metabisulfite In N,N-dimethyl-formamide at 120℃; for 4h; Inert atmosphere;63%
2,3-diaminobenzamide
711007-44-2

2,3-diaminobenzamide

methyl 2,2,2-trichloroacetimidate
2533-69-9

methyl 2,2,2-trichloroacetimidate

2-(trichloromethyl)-1H-benzo[d]immidazole-4-carboxamide

2-(trichloromethyl)-1H-benzo[d]immidazole-4-carboxamide

Conditions
ConditionsYield
With trifluoroacetic acid In diethyl ether; dichloromethane at 20℃; for 6h;61.3%

Benzamide, 2,3-diamino- Specification

The Benzamide, 2,3-diamino-, with CAS registry number 711007-44-2, has the systematic name of 2,3-diaminobenzamide. And its IUPAC name is the same one. What's more, the chemical formula of this chemical is C7H9N3O.

Physical properties of Benzamide, 2,3-diamino-: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 18; (6)ACD/KOC (pH 7.4): 18; (7)#H bond acceptors: 4; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 95.13 Å2; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 43.656 cm3; (13)Molar Volume: 112.695 cm3; (14)Polarizability: 17.306×10-24cm3; (15)Surface Tension: 76.578 dyne/cm; (16)Density: 1.341 g/cm3; (17)Flash Point: 144.325 °C; (18)Enthalpy of Vaporization: 55.624 kJ/mol; (19)Boiling Point: 315.03 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)N)N)C(=O)N
(2)InChI: InChI=1/C7H9N3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H2,10,11)
(3)InChIKey: NAWJZCSEYBQUGY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H9N3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H2,10,11)
(5)Std. InChIKey: NAWJZCSEYBQUGY-UHFFFAOYSA-N

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