Product Name

  • Name

    1-Methylbenzotriazole

  • EINECS 249-596-6
  • CAS No. 13351-73-0
  • Article Data55
  • CAS DataBase
  • Density 1.24 g/cm3
  • Solubility
  • Melting Point 64-65°C
  • Formula C7H7N3
  • Boiling Point 270.5 °C at 760 mmHg
  • Molecular Weight 133.153
  • Flash Point 117.4 °C
  • Transport Information
  • Appearance
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 13351-73-0 (1-Methylbenzotriazole)
  • Hazard Symbols
  • Synonyms 1-Methyl-1,2,3-benzotriazole;1-Methyl-1H-benzotriazole;1-Methylbenzotriazole;NSC 11743;
  • PSA 30.71000
  • LogP 0.96830

Synthetic route

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 90℃; for 4h;87.8%
methyl magnesium iodide
917-64-6

methyl magnesium iodide

1-(chloromethyl)-1H-benzotriazole
54187-96-1

1-(chloromethyl)-1H-benzotriazole

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

1-ethylbenzotriazole
16584-05-7

1-ethylbenzotriazole

Conditions
ConditionsYield
In diethyl ether for 1h; Ambient temperature;A 83%
B 11%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

P-(dichloromethyl) O-methyl chlorophosphonate

P-(dichloromethyl) O-methyl chlorophosphonate

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 5℃; for 1h; Alkylation;80%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

methyl iodide
74-88-4

methyl iodide

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile for 48h;73%
With potassium tert-butylate; 18-crown-6 ether In diethyl ether for 1h; Ambient temperature;70%
Stage #1: 1,2,3-Benzotriazole With sodium hydride In tetrahydrofuran; mineral oil for 0.0833333h;
Stage #2: With carbon disulfide In tetrahydrofuran; mineral oil at 0 - 5℃;
Stage #3: methyl iodide In tetrahydrofuran; mineral oil at 0 - 5℃; for 0.2h;
67%
With sodium hydroxide In water; acetonitrile at 20℃; for 48h;55%
1H-benzotriazole-1-carboxylic acid methyl ester
86298-22-8

1H-benzotriazole-1-carboxylic acid methyl ester

A

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
at 120℃; Title compound not separated from byproducts;A 29%
B 71%
at 160℃;
at 160℃;
at 120℃; Mechanism; other alkoxycarbonylbenzotriazoles;A 29 % Spectr.
B 71 % Spectr.
1-benzyl-3-methylbenzotriazolium iodide
1334478-48-6

1-benzyl-3-methylbenzotriazolium iodide

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

(E)-1,2-diphenyl-ethene
103-30-0

(E)-1,2-diphenyl-ethene

Conditions
ConditionsYield
With sodium hydride In dimethyl sulfoxide at 20℃; stereoselective reaction;A n/a
B 68%
N-chlorobenzotriazole
21050-95-3

N-chlorobenzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

C

1-iodobenzotriazole
68407-95-4

1-iodobenzotriazole

D

1,3-dimethylbenzotriazolium triiodide

1,3-dimethylbenzotriazolium triiodide

Conditions
ConditionsYield
With methyl iodide In dichloromethane at 42℃; for 1h;A 10%
B 6%
C 65%
D 19%
With methyl iodide In dichloromethane at 42℃; for 3h;A 18%
B 11%
C 41%
D 30%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

dimethyl sulfate
77-78-1

dimethyl sulfate

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 2.5h;65%
With sodium hydroxide In water at 20 - 80℃; for 0.75h;
N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide
127236-78-6

N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide

benzylmagnesium chloride
6921-34-2

benzylmagnesium chloride

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

1-phenethyl-1H-benzo[d][1,2,3]triazole
63777-68-4

1-phenethyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether at 45℃; for 3h;A n/a
B 64%
N-methyl-1,2-phenylenediamine
4760-34-3

N-methyl-1,2-phenylenediamine

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With tert.-butylhydroperoxide; nitromethane; caesium carbonate; acetic acid; potassium iodide In water at 120℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction;62%
With hydrogenchloride Diazotization.und Verkochen das entstandende Diazoniumsalz;
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

methyl iodide
74-88-4

methyl iodide

A

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With sodium hydroxide In N,N-dimethyl-formamide for 0.5h;A 40%
B 60%
With potassium hydroxide; tetrabutylammomium bromide at 0℃; Yields of byproduct given;A 25%
B n/a
With sodium hydroxide In N,N-dimethyl-formamide for 0.25h; Ambient temperature; Yield given. Yields of byproduct given;
With potassium hydroxide; tetrabutylammomium bromide Ambient temperature; Irradiation; Yield given. Yields of byproduct given;
With potassium hydroxide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20℃; for 2h;
Dimethyl oxalate
553-90-2

Dimethyl oxalate

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

A

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With potassium tert-butylate In N,N-dimethyl-formamide Heating;A 35%
B 59%
With potassium tert-butylate In N,N-dimethyl-formamide for 3h; Heating;A 35%
B 59%
With potassium tert-butylate In N,N-dimethyl-formamide for 3h; Heating;A 35%
B 59%
N,N-dimethyl-2-nitro-benzenamine
610-17-3

N,N-dimethyl-2-nitro-benzenamine

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

N-nitroso N-methyl-N-(2-nitroaniline)
89937-90-6

N-nitroso N-methyl-N-(2-nitroaniline)

C

N-methyl-N-nitrosoaniline
614-00-6

N-methyl-N-nitrosoaniline

D

2-nitro-N-methylaniline
612-28-2

2-nitro-N-methylaniline

Conditions
ConditionsYield
With n-Butyl nitrite; ammonium chloride; water for 2h; Heating; Further byproducts given;A 7%
B 58%
C 9%
D 5%
N,N-dimethyl-2-nitro-benzenamine
610-17-3

N,N-dimethyl-2-nitro-benzenamine

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

N-nitroso N-methyl-N-(2-nitroaniline)
89937-90-6

N-nitroso N-methyl-N-(2-nitroaniline)

C

2-nitro-N-methylaniline
612-28-2

2-nitro-N-methylaniline

D

nitrobenzene
98-95-3

nitrobenzene

Conditions
ConditionsYield
With n-Butyl nitrite; ammonium chloride; water for 2h; Mechanism; Heating;A 7%
B 58%
C 5%
D 1%
1-benzyl-3-methylbenzotriazolium bromide
37922-13-7

1-benzyl-3-methylbenzotriazolium bromide

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

(E)-1,2-diphenyl-ethene
103-30-0

(E)-1,2-diphenyl-ethene

Conditions
ConditionsYield
With sodium hydride In dimethyl sulfoxide at 20℃; stereoselective reaction;A n/a
B 56%
N-chlorobenzotriazole
21050-95-3

N-chlorobenzotriazole

methyl iodide
74-88-4

methyl iodide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

C

1-iodobenzotriazole
68407-95-4

1-iodobenzotriazole

D

1,3-dimethylbenzotriazolium triiodide

1,3-dimethylbenzotriazolium triiodide

Conditions
ConditionsYield
In dichloromethane at 42℃; for 7h;A 8%
B 21%
C 16%
D 55%
In dichloromethane at 42℃; for 5h;A 8%
B 28%
C 29%
D 35%
N-chlorobenzotriazole
21050-95-3

N-chlorobenzotriazole

methyl iodide
74-88-4

methyl iodide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

C

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

D

1,3-dimethylbenzotriazolium triiodide

1,3-dimethylbenzotriazolium triiodide

Conditions
ConditionsYield
In dichloromethane at 42℃; for 3h; Further byproducts given;A 8%
B 3%
C 33%
D 49%
(E)-benzotriazole-1-carbaldehyde oxime
147861-10-7

(E)-benzotriazole-1-carbaldehyde oxime

methyl iodide
74-88-4

methyl iodide

A

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

C

(E)-1-formylbenzotriazole O-methyloxime

(E)-1-formylbenzotriazole O-methyloxime

Conditions
ConditionsYield
With sodium ethanolate In ethanol at 25℃; for 24h;A 12%
B 42%
C 26%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In water; acetonitrile at 100℃; for 8h; Schlenk technique; Inert atmosphere; regioselective reaction;42%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

A

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
In toluene for 0.5h; Heating;A 38%
B 10%
N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide
127236-78-6

N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole
88064-00-0

1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole

Conditions
ConditionsYield
In diphenylether at 200℃; for 2h;A 15%
B 38%
N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide
127236-78-6

N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide

N,N-diethylaniline
91-66-7

N,N-diethylaniline

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

1-ethylbenzotriazole
16584-05-7

1-ethylbenzotriazole

C

1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole
88064-00-0

1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole

Conditions
ConditionsYield
at 200℃; for 4h;A 8%
B 37%
C 28%
N-bromobenzotriazole
65763-68-0

N-bromobenzotriazole

methyl iodide
74-88-4

methyl iodide

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

1,3-dimethylbenzotriazolium triiodide

1,3-dimethylbenzotriazolium triiodide

Conditions
ConditionsYield
In dichloromethane at 42℃; for 3h;A 26%
B 35%
6-chloro-1-methyl-4-nitrobenzotriazole

6-chloro-1-methyl-4-nitrobenzotriazole

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 70℃; for 90h;32%
1-amino-3-methylbenzimidazolium chloride

1-amino-3-methylbenzimidazolium chloride

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

N-methyl-N-phenylformamide
93-61-8

N-methyl-N-phenylformamide

Conditions
ConditionsYield
With lead(IV) acetate In methanol for 0.5h; Ambient temperature;A 20.2%
B 17.2%
2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

methylhydrazine
60-34-4

methylhydrazine

A

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

B

3-methyl-3H-1,2,3-benzotriazole 1-oxide
22713-36-6

3-methyl-3H-1,2,3-benzotriazole 1-oxide

C

2-nitro-N-methylaniline
612-28-2

2-nitro-N-methylaniline

D

2-Chloroaniline
95-51-2

2-Chloroaniline

Conditions
ConditionsYield
In ethanol at 150℃; for 5h;A 12%
B n/a
C n/a
D 20%
1-iodobenzotriazole
68407-95-4

1-iodobenzotriazole

methyl iodide
74-88-4

methyl iodide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

C

1,3-dimethylbenzotriazolium triiodide

1,3-dimethylbenzotriazolium triiodide

Conditions
ConditionsYield
In dichloromethane at 42℃; for 3h;A 10%
B 10%
C 12%
1-iodobenzotriazole
68407-95-4

1-iodobenzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

C

1,3-dimethylbenzotriazolium triiodide

1,3-dimethylbenzotriazolium triiodide

Conditions
ConditionsYield
With methyl iodide In dichloromethane at 42℃; for 3h;A 10%
B 10%
C 12%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

A

2-methylbenzotriazole
16584-00-2

2-methylbenzotriazole

B

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With ethanol
1-(chloromethyl)-1H-benzotriazole
54187-96-1

1-(chloromethyl)-1H-benzotriazole

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With lithium aluminium tetrahydride
Multi-step reaction with 2 steps
1: 40 percent / methanol / 1 h / Heating
2: toluene; diethyl ether / Heating
View Scheme
Multi-step reaction with 2 steps
1: 87 percent / toluene; methanol / 2 h / Heating
2: benzene; diethyl ether / Heating
View Scheme
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

borane-THF
14044-65-6

borane-THF

N-1-methyl-benzotriazole-N-3-borane
1201669-53-5

N-1-methyl-benzotriazole-N-3-borane

Conditions
ConditionsYield
In not given (C6H4N3)Me (1.1 equiv.), 1.0 M BH3*THF (1.0 equiv.), room temp.;99%
In tetrahydrofuran for 2h; Cooling with ice;84%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

N-1-methyl-benzotriazole-N-3-borane
1201669-53-5

N-1-methyl-benzotriazole-N-3-borane

Conditions
ConditionsYield
With borane-THF In tetrahydrofuran at 20℃; Inert atmosphere;99%
gold(III) chloride

gold(III) chloride

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

silver trifluoromethanesulfonate
2923-28-6

silver trifluoromethanesulfonate

C34H43AuN5(1+)*CF3O3S(1-)

C34H43AuN5(1+)*CF3O3S(1-)

Conditions
ConditionsYield
In methanol at 20℃; for 6h;97%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

nickel(II) chloride hexahydrate

nickel(II) chloride hexahydrate

Ni(2+)*2Cl(1-)*C6N3H4CH3=NiCl2(C6N3H4CH3)

Ni(2+)*2Cl(1-)*C6N3H4CH3=NiCl2(C6N3H4CH3)

Conditions
ConditionsYield
With triethyl orthoformate In ethanol to a soln. of NiCl2*6H2O in abs. ethanol was added CH(OEt)3, refluxed for 30 min, addn. of the triazole (molar ratio 1:1); filtered, washed with ethanol and Et2O, dried in vac. over silica gel; elem. anal.;96%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

cobalt(II) bromide

cobalt(II) bromide

(Br2)(1-methylbenzotriazolyl)2cobalt(II)
146262-41-1

(Br2)(1-methylbenzotriazolyl)2cobalt(II)

Conditions
ConditionsYield
In ethanol dropwise addn. of CoBr2 in absolute EtOH to a stirred solution of ligand in absolute EtOH (under aerobic conditions), forming ppt., further stirring for 30 min; filtn., washing with EtOH and diethyl ether, drying in vacuo over silica gel, elem. anal.;95%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

phenanthridine
229-87-8

phenanthridine

propynoic acid methyl ester
922-67-8

propynoic acid methyl ester

(E)-methyl 3-(6-(1H-benzo[d][1,2,3]triazol-1-yl)phenanthridin-5(6H)-yl)acrylate

(E)-methyl 3-(6-(1H-benzo[d][1,2,3]triazol-1-yl)phenanthridin-5(6H)-yl)acrylate

Conditions
ConditionsYield
In dichloromethane at -10 - 20℃;91%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

3-methyl-3H-1,2,3-benzotriazole 1-oxide
22713-36-6

3-methyl-3H-1,2,3-benzotriazole 1-oxide

Conditions
ConditionsYield
With 3,3-dimethyldioxirane In dichloromethane at 20℃; for 24h;90%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

phenanthridine
229-87-8

phenanthridine

propynoic acid ethyl ester
623-47-2

propynoic acid ethyl ester

(E)-ethyl 3-(6-(1H-benzo[d][1,2,3]triazol-1-yl)phenanthridin-5(6H)-yl)acrylate

(E)-ethyl 3-(6-(1H-benzo[d][1,2,3]triazol-1-yl)phenanthridin-5(6H)-yl)acrylate

Conditions
ConditionsYield
In dichloromethane at -10 - 20℃;90%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

1,3,5-triphenylhexahydro-1,3,5-triazine
91-78-1

1,3,5-triphenylhexahydro-1,3,5-triazine

Conditions
ConditionsYield
at 700℃; under 0.01 Torr; Elimination; Cyclotrimerization;89%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

cobalt(II) chloride hexahydrate

cobalt(II) chloride hexahydrate

(MebtaH)((chloro)3(1-methylbenzotriazolyl)cobaltate(II))
146262-39-7

(MebtaH)((chloro)3(1-methylbenzotriazolyl)cobaltate(II))

Conditions
ConditionsYield
With concd. HCl In ethanol addn. of CoCl2*6H2O in concd. HCl-EtOH to a stirred soln. of ligand in concd. HCl-EtOH (under aerobic conditions), formation of ppt.; filtn., washing with EtOH and diethyl ether, drying in vacuo over silica gel, elem. anal.;89%
4-methyl-benzoic acid methyl ester
99-75-2

4-methyl-benzoic acid methyl ester

1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylphenyl)-1-ethanone
189343-47-3

2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylphenyl)-1-ethanone

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 12h;88%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Methyl decanoate
110-42-9

Methyl decanoate

1-Benzotriazol-1-yl-undecan-2-one
189343-46-2

1-Benzotriazol-1-yl-undecan-2-one

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 12h;88%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

copper(ll) bromide
7789-45-9

copper(ll) bromide

CuBr2(C6H4N3CH3)
88177-45-1

CuBr2(C6H4N3CH3)

Conditions
ConditionsYield
In acetone room temp. (overnight); filtering, washing (Me2CO, Et2O), drying (vac., over SiO2); elem. anal.;88%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

2-methylmercaptobenzothiazole
615-22-5

2-methylmercaptobenzothiazole

1-(1,3-Benzothiazol-2-ylmethyl)-1H-1,2,3-benzotriazole
156272-74-1

1-(1,3-Benzothiazol-2-ylmethyl)-1H-1,2,3-benzotriazole

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 24h;85%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

nickel(II) chloride hexahydrate

nickel(II) chloride hexahydrate

Ni(2+)*2Cl(1-)*2C6N3H4CH3=NiCl2(C6N3H4CH3)2

Ni(2+)*2Cl(1-)*2C6N3H4CH3=NiCl2(C6N3H4CH3)2

Conditions
ConditionsYield
With triethyl orthoformate In ethanol to a soln. of NiCl2*6H2O in abs. ethanol was added CH(OEt)3, refluxed for 30 min, addn. of the triazole (molar ratio 1:2); filtered, washed with ethanol and Et2O, dried in vac. over silica gel; elem. anal.;85%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

cobalt(II) thiocyanate
3017-60-5

cobalt(II) thiocyanate

(cobalt(isothiocyanate)2(1-methylbenzotriazole)2)
146262-43-3

(cobalt(isothiocyanate)2(1-methylbenzotriazole)2)

Conditions
ConditionsYield
In acetone addn. of solid ligand to a stirred soln. of Co(NCS)2 in acetone (under aerobic conditions), stirring for 10 min at room temp.; filtn., addn. of n-hexane to the filtrate to yield dark blue oil, solidification on overnight storage in a freezer, collection by filtn., washing with n-hexane, drying in vacuo over silica gel, elem. anal.;84%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

ethyl pelargonate
123-29-5

ethyl pelargonate

1-Benzotriazol-1-yl-decan-2-one
189343-45-1

1-Benzotriazol-1-yl-decan-2-one

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 12h;83%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

cobalt(II) chloride
7646-79-9

cobalt(II) chloride

(chloro)2(1-methylbenzotriazolyl)2cobalt(II)
146262-37-5

(chloro)2(1-methylbenzotriazolyl)2cobalt(II)

Conditions
ConditionsYield
In ethanol dropwise addn. of CoCl2 in absolute EtOH to a stirred solution of ligand in absolute EtOH (under aerobic conditions), forming ppt., further stirring for 30 min; filtn., washing with EtOH and diethyl ether, drying in vacuo over silica gel, elem. anal.;83%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

α-bromoacetophenone
70-11-1

α-bromoacetophenone

3-methyl-1-phenacylbenzotriazolium bromide
132416-78-5

3-methyl-1-phenacylbenzotriazolium bromide

Conditions
ConditionsYield
In toluene for 5h; Heating;80%
In ethyl acetate for 3h; Heating;72%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

nickel(II) thiocyanate
13689-92-4

nickel(II) thiocyanate

Ni(NCS)2(CH3OH)2(C6N3H4CH3)2
157037-34-8

Ni(NCS)2(CH3OH)2(C6N3H4CH3)2

Conditions
ConditionsYield
With methanol In methanol the triazole was dissolved with stirring in a soln. of Ni(SCN)2 in refluxing methanol, left undisturbed at ambient temp.; filtered, washed with Et2O, dried in air; elem. anal.;80%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

copper dichloride

copper dichloride

[Cu2Cl4(1-methylbenzotriazole)2]n

[Cu2Cl4(1-methylbenzotriazole)2]n

Conditions
ConditionsYield
With HC(OEt)3 In ethanol dissoln. of equimolar amts. of CuCl2 and ligand in EtOH contg. HC(COEt)3; crystn. (2 d, room temp.), filtration, washing (Et2O), drying (vac.); elem. anal.;80%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

Ethyl hexanoate
123-66-0

Ethyl hexanoate

1-(1H-1,2,3-benzotriazol-1-yl)-2-heptanone
189343-44-0

1-(1H-1,2,3-benzotriazol-1-yl)-2-heptanone

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 12h;78%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

nickel(II) nitrate hexahydrate

nickel(II) nitrate hexahydrate

Ni(NO3)2(C6N3H4CH3)4
157037-29-1

Ni(NO3)2(C6N3H4CH3)4

Conditions
ConditionsYield
With triethyl orthoformate In ethanol to a soln. of the triazole in abs. ethanol was added a soln. of Ni(NO3)2*6H2O in the same solvent, addn. of CH(OEt)3, refluxed for 30 min; addn. of Et2O to the cooled soln., filtered, washed with Et2O, dried in vac. over silica gel; elem. anal.;78%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

methyl trifluoromethanesulfonate

methyl trifluoromethanesulfonate

1,3-Dimethylbenzotriazolium trifluoromethanesulphonate

1,3-Dimethylbenzotriazolium trifluoromethanesulphonate

Conditions
ConditionsYield
In dichloromethane for 144h; Ambient temperature;77%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

(triphenylphosphine)gold(I) chloride

(triphenylphosphine)gold(I) chloride

silver trifluoromethanesulfonate
2923-28-6

silver trifluoromethanesulfonate

triazole
1186016-23-8

triazole

Conditions
ConditionsYield
Stage #1: (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate In methanol for 0.0833333h; Inert atmosphere;
Stage #2: 1-methyl-1H-benzo[d][1,2,3]triazole In methanol at 20℃; for 12h; Inert atmosphere;
76%
byproducts: AgCl;
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

acetonitrile
75-05-8

acetonitrile

copper(ll) bromide
7789-45-9

copper(ll) bromide

CuBr2(C6H4N3CH3)2(CH3CN)
255913-57-6

CuBr2(C6H4N3CH3)2(CH3CN)

Conditions
ConditionsYield
In acetonitrile room temp. (24 h); filtering, washing (Et2O), drying; elem. anal.;75%
1-methyl-1H-benzo[d][1,2,3]triazole
13351-73-0

1-methyl-1H-benzo[d][1,2,3]triazole

nickel(II) bromide trihydrate

nickel(II) bromide trihydrate

NiBr2(CH3OH)2(C6N3H4CH3)2
157037-39-3

NiBr2(CH3OH)2(C6N3H4CH3)2

Conditions
ConditionsYield
With triethyl orthoformate In methanol to a stirred soln. of NiBr2*3H2O in abs. methanol were added CH(OEt)3 and a soln. of the triazole in abs. methanol, refluxed for 30 min; layered with Et2O at 4°C, slow mixing, filtered, washed with Et2O, dried in air; elem. anal.;74%

1-Methylbenzotriazole Specification

The 1H-Benzotriazole,1-methyl-, with CAS registry number 13351-73-0, has the systematic name of 1-methyl-1H-benzotriazole. Besides this, it is also called 1-Methylbenzotriazole. And the chemical formula of this chemical is C7H7N3. What's more, its EINECS is 236-401-4. When use it, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 1H-Benzotriazole,1-methyl-: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.74; (6)ACD/BCF (pH 7.4): 3.74; (7)ACD/KOC (pH 5.5): 89.52; (8)ACD/KOC (pH 7.4): 89.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 39.58 cm3; (15)Molar Volume: 107.3 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 117.4 °C; (20)Enthalpy of Vaporization: 48.82 kJ/mol; (21)Boiling Point: 270.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0113 mmHg at 25°C.

Preparation: this chemical can be prepared by 1H-benzotriazole and iodomethane. This reaction will need reagent sodium hydroxide and solvents acetonitrile, H2O. The reaction time is 2 day(s). The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nn(c2ccccc12)C
(2)InChI: InChI=1/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
(3)InChIKey: HXQHRUJXQJEGER-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
(5)Std. InChIKey: HXQHRUJXQJEGER-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 375mg/kg (375mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.

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