Product Name

  • Name

    methyl 2-(formylamino)benzoate

  • EINECS 255-287-7
  • CAS No. 41270-80-8
  • Article Data11
  • CAS DataBase
  • Density 1.243 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H9NO3
  • Boiling Point 367.8 °C at 760 mmHg
  • Molecular Weight 179.175
  • Flash Point 176.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 41270-80-8 (methyl 2-(formylamino)benzoate)
  • Hazard Symbols
  • Synonyms Methyl 2-formylaminobenzoate;Methyl 2-(formylamino)benzoate;methyl 2-formamidobenzoate;Benzoic acid, 2-(formylamino)-, methyl ester;
  • PSA 58.89000
  • LogP 1.69100

Synthetic route

formic acid
64-18-6

formic acid

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
With sulfated polyborate In neat (no solvent) at 70℃; for 0.5h;92%
at 130℃; im Druckrohr;
formic acid
64-18-6

formic acid

2-ethoxycarbonylaniline
87-25-2

2-ethoxycarbonylaniline

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
With (1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium)3[PW12O403-] In neat (no solvent) at 70℃; for 1.5h; Green chemistry;90%
methyl 2-(methyl(nitroso)amino)benzoate
68061-82-5

methyl 2-(methyl(nitroso)amino)benzoate

A

benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

B

4-nitrobenzoic acid methyl ester
619-50-1

4-nitrobenzoic acid methyl ester

C

diphenic acid dimethyl ester
5807-64-7

diphenic acid dimethyl ester

D

dimethyl (1,1'-biphenyl)-2,4'-dicarboxylate
55676-77-2

dimethyl (1,1'-biphenyl)-2,4'-dicarboxylate

E

dimethyl (1,1'-biphenyl)-2,3'-dicarboxylate
32947-58-3

dimethyl (1,1'-biphenyl)-2,3'-dicarboxylate

F

2-(benzoyl-methylamino)benzoic acid methyl ester
75541-61-6

2-(benzoyl-methylamino)benzoic acid methyl ester

G

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

H

Methyl N-methylanthranilate
85-91-6

Methyl N-methylanthranilate

I

methyl 2-(benzamido)benzoate
7510-49-8

methyl 2-(benzamido)benzoate

J

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
at 220℃; for 0.25h; Sealed tube;A n/a
B n/a
C n/a
D n/a
E n/a
F n/a
G n/a
H n/a
I 90%
J n/a
...Expand
dimethoxyacetaldehyde
51673-84-8

dimethoxyacetaldehyde

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
With oxygen; toluene-4-sulfonic acid In 1,4-dioxane at 60℃; for 2h;60%
2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

formic acid ethyl ester
109-94-4

formic acid ethyl ester

A

ethyl 2-(formylamino) benzoate
72368-50-4

ethyl 2-(formylamino) benzoate

B

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
With sodium
...Expand
2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

formic acid ethyl ester
109-94-4

formic acid ethyl ester

sodium

sodium

A

ethyl 2-(formylamino) benzoate
72368-50-4

ethyl 2-(formylamino) benzoate

B

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

...Expand
3-oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide
50978-45-5

3-oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 0.25h; chemoselective reaction;
2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

Acetic formic anhydride
2258-42-6

Acetic formic anhydride

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

Conditions
ConditionsYield
In diethyl ether; hexane at 0 - 20℃;
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

o-methoxycarbonylphenylisonitrile
66715-31-9

o-methoxycarbonylphenylisonitrile

Conditions
ConditionsYield
With triethylamine; trichlorophosphate In dichloromethane at -30 - 20℃; for 48.5h;81%
With triethylamine; trichlorophosphate In tetrahydrofuran at 0℃;
With triethylamine; trichlorophosphate In tetrahydrofuran at 0℃;
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

1-(p-toluenesulfonyl)-1,2-heptadiene
514805-22-2

1-(p-toluenesulfonyl)-1,2-heptadiene

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester
514805-20-0

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester

Conditions
ConditionsYield
With dmap; potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 2h;60%
1-(p-toluenesulfonyl)-1-heptyne
82721-81-1

1-(p-toluenesulfonyl)-1-heptyne

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester
514805-20-0

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester

Conditions
ConditionsYield
With dmap; potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 2h;57%
1-(p-toluenesulfonyl)-2-heptyne
131156-26-8

1-(p-toluenesulfonyl)-2-heptyne

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester
514805-20-0

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester

Conditions
ConditionsYield
With dmap; potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 24h;51%
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

4-[8-(p-toluenesulfonyl)-7-octynyl]-1,2-(methylenedioxy)benzene
474452-37-4

4-[8-(p-toluenesulfonyl)-7-octynyl]-1,2-(methylenedioxy)benzene

2-{[(E)-7-Benzo[1,3]dioxol-5-yl-1-(toluene-4-sulfonylmethyl)-hept-1-enyl]-formyl-amino}-benzoic acid methyl ester
474452-40-9

2-{[(E)-7-Benzo[1,3]dioxol-5-yl-1-(toluene-4-sulfonylmethyl)-hept-1-enyl]-formyl-amino}-benzoic acid methyl ester

Conditions
ConditionsYield
With dmap; potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 15h;26%
With dmap; potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 15h;26%
1-(p-toluenesulfonyl)-1-heptyne
82721-81-1

1-(p-toluenesulfonyl)-1-heptyne

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

A

1-(p-toluenesulfonyl)-2-heptyne
131156-26-8

1-(p-toluenesulfonyl)-2-heptyne

B

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester
514805-20-0

2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester

C

2-(Formyl-{1-[1-(toluene-4-sulfonyl)-meth-(E)-ylidene]-hexyl}-amino)-benzoic acid methyl ester

2-(Formyl-{1-[1-(toluene-4-sulfonyl)-meth-(E)-ylidene]-hexyl}-amino)-benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 96h;A n/a
B 16%
C 4%
...Expand
methanol
67-56-1

methanol

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

4-methoxy-1,4-dihydro-benzo[d][1,3]oxazin-2-one
62723-86-8

4-methoxy-1,4-dihydro-benzo[d][1,3]oxazin-2-one

Conditions
ConditionsYield
(i) (thermolysis), (ii) /BRN= 1098229/; Multistep reaction;
ethanol
64-17-5

ethanol

N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

4-ethoxy-1,4-dihydro-benzo[d][1,3]oxazin-2-one
62723-87-9

4-ethoxy-1,4-dihydro-benzo[d][1,3]oxazin-2-one

Conditions
ConditionsYield
(i) (thermolysis), (ii) /BRN= 1718733/; Multistep reaction;
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

2-pentylquinolin-4(1H)-one
109072-26-6

2-pentylquinolin-4(1H)-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 57 percent / potassium carbonate; DMAP / dimethylformamide; H2O / 2 h / 20 °C
2: 77 percent / LiHMDS / tetrahydrofuran / 1.17 h / -78 °C
3: 68 percent / mercuric chloride; aluminum / methanol; tetrahydrofuran / 1.5 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

4-oxo-2-pentylidene-3-(toluene-4-sulfonyl)-3,4-dihydro-2H-quinoline-1-carbaldehyde

4-oxo-2-pentylidene-3-(toluene-4-sulfonyl)-3,4-dihydro-2H-quinoline-1-carbaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 57 percent / potassium carbonate; DMAP / dimethylformamide; H2O / 2 h / 20 °C
2: 77 percent / LiHMDS / tetrahydrofuran / 1.17 h / -78 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

3-(2-isocyano-phenyl)-N,N-dimethyl-3-oxo-propionamide

3-(2-isocyano-phenyl)-N,N-dimethyl-3-oxo-propionamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: POCl3; Et3N / tetrahydrofuran / 0 °C
2: magnesium bis(diisopropylamide) / diethyl ether / 0 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

4-hydroxy-quinoline-3-carboxylic acid dimethylamide

4-hydroxy-quinoline-3-carboxylic acid dimethylamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: POCl3; Et3N / tetrahydrofuran / 0 °C
2: magnesium bis(diisopropylamide) / diethyl ether / 0 °C
3: magnesium bis(diisopropylamide) / diethyl ether / 2 h
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

3-(2-isocyano-phenyl)-3-oxo-propionic acid tert-butyl ester

3-(2-isocyano-phenyl)-3-oxo-propionic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: POCl3; Et3N / tetrahydrofuran / 0 °C
2: magnesium bis(diisopropylamide) / diethyl ether / 0 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

4-hydroxy-quinoline-3-carboxylic acid tert-butyl ester

4-hydroxy-quinoline-3-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: POCl3; Et3N / tetrahydrofuran / 0 °C
2: magnesium bis(diisopropylamide) / diethyl ether / 0 °C
3: magnesium bis(diisopropylamide) / diethyl ether / 2 h
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

(S)-2-(2-(2-(2-(dimethylamino)benzamido)-N-methylacetamido)-3-methylbutanamido)benzoic acid
106283-19-6

(S)-2-(2-(2-(2-(dimethylamino)benzamido)-N-methylacetamido)-3-methylbutanamido)benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
3: lithium hydroxide / tetrahydrofuran; water / 8 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-methylacetamido)-3-methyl-butanamido)benzoate
1418290-22-8

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-methylacetamido)-3-methyl-butanamido)benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-propylacetamido)-3-methyl-butanamido)benzoate
1418290-25-1

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-propylacetamido)-3-methyl-butanamido)benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

methyl 2-(2-(N-benzyl-2-(2-(dimethylamino)benzamido)acetamido)-3-methylbutanamido)benzoate
1418290-26-2

methyl 2-(2-(N-benzyl-2-(2-(dimethylamino)benzamido)acetamido)-3-methylbutanamido)benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-(4-fluorobenzyl)acetamido)-3-methylbutanamido)benzoate
1418290-27-3

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-(4-fluorobenzyl)acetamido)-3-methylbutanamido)benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

methyl 2-(2-(n-(4-chlorobenzyl)-2-(2-(dimethylamino)benzamido)acetamido)-3-methylbutanamido)benzoate
1418290-28-4

methyl 2-(2-(n-(4-chlorobenzyl)-2-(2-(dimethylamino)benzamido)acetamido)-3-methylbutanamido)benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-phenethylacetamido)-3-methylbutanamido)benzoate
1418290-29-5

methyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-phenethylacetamido)-3-methylbutanamido)benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
View Scheme
N-formylanthranilic acid methyl ester
41270-80-8

N-formylanthranilic acid methyl ester

2-(2-(2-(2-(dimethylamino)benzamido)-N-propylacetamido)-3-methylbutan-amido)benzoic acid
1418290-30-8

2-(2-(2-(2-(dimethylamino)benzamido)-N-propylacetamido)-3-methylbutan-amido)benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: trichlorophosphate; triethylamine / dichloromethane / 48.5 h / -30 - 20 °C
2: methanol / 20 h / 20 °C
3: lithium hydroxide / tetrahydrofuran; water / 8 h / 20 °C
View Scheme

Methyl N-formylanthranilate Specification

This chemical is called Methyl N-formylanthranilate, and it can also be named as Benzoic acid, 2-(formylamino)-, methyl ester. With the molecular formula of C9H9NO3, its molecular weight is 179.17. The CAS registry number of this chemical is 41270-80-8.

Other characteristics of the Methyl N-formylanthranilate can be summarised as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.07; (6)ACD/BCF (pH 7.4): 30.07; (7)ACD/KOC (pH 5.5): 397.84; (8)ACD/KOC (pH 7.4): 397.84; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 47.82 cm3; (15)Molar Volume: 144.1 cm3; (16)Polarizability: 18.95×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 176.3 °C; (20)Enthalpy of Vaporization: 61.44 kJ/mol; (21)Boiling Point: 367.8 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=CNc1ccccc1C(=O)OC
2.InChI: InChI=1/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)
3.InChIKey: HRNPZFOYXWWMFL-UHFFFAOYAY

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