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| CAS No.: | 41270-80-8 |
|---|---|
| Name: | methyl 2-(formylamino)benzoate |
| Article Data: | 11 |
| Molecular Structure: | |
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|
|
| Formula: | C9H9NO3 |
| Molecular Weight: | 179.175 |
| Synonyms: | Methyl 2-formylaminobenzoate;Methyl 2-(formylamino)benzoate;methyl 2-formamidobenzoate;Benzoic acid, 2-(formylamino)-, methyl ester; |
| EINECS: | 255-287-7 |
| Density: | 1.243 g/cm3 |
| Boiling Point: | 367.8 °C at 760 mmHg |
| Flash Point: | 176.3 °C |
| PSA: | 58.89000 |
| LogP: | 1.69100 |
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| Conditions | Yield |
|---|---|
| With sulfated polyborate In neat (no solvent) at 70℃; for 0.5h; | 92% |
| at 130℃; im Druckrohr; |
| Conditions | Yield |
|---|---|
| With (1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium)3[PW12O403-] In neat (no solvent) at 70℃; for 1.5h; Green chemistry; | 90% |
- 68061-82-5
methyl 2-(methyl(nitroso)amino)benzoate
A
- 93-58-3
benzoic acid methyl ester
B
- 619-50-1
4-nitrobenzoic acid methyl ester
C
- 5807-64-7
diphenic acid dimethyl ester
D
- 55676-77-2
dimethyl (1,1'-biphenyl)-2,4'-dicarboxylate
E
- 32947-58-3
dimethyl (1,1'-biphenyl)-2,3'-dicarboxylate
F
- 75541-61-6
2-(benzoyl-methylamino)benzoic acid methyl ester
G
- 134-20-3
2-carbomethoxyaniline
H
- 85-91-6
Methyl N-methylanthranilate
I
- 7510-49-8
methyl 2-(benzamido)benzoate
J
- 41270-80-8
N-formylanthranilic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 |
- 51673-84-8
dimethoxyacetaldehyde
- 134-20-3
2-carbomethoxyaniline
- 41270-80-8
N-formylanthranilic acid methyl ester
| Conditions | Yield |
|---|---|
| With oxygen; toluene-4-sulfonic acid In 1,4-dioxane at 60℃; for 2h; | 60% |
- 134-20-3
2-carbomethoxyaniline
- 109-94-4
formic acid ethyl ester
A
- 72368-50-4
ethyl 2-(formylamino) benzoate
B
- 41270-80-8
N-formylanthranilic acid methyl ester
| Conditions | Yield |
|---|---|
| With sodium |
- 134-20-3
2-carbomethoxyaniline
- 109-94-4
formic acid ethyl ester
A
- 72368-50-4
ethyl 2-(formylamino) benzoate
B
- 41270-80-8
N-formylanthranilic acid methyl ester
- 50978-45-5
3-oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide
- 134-20-3
2-carbomethoxyaniline
- 41270-80-8
N-formylanthranilic acid methyl ester
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 0.25h; chemoselective reaction; |
- 134-20-3
2-carbomethoxyaniline
- 2258-42-6
Acetic formic anhydride
- 41270-80-8
N-formylanthranilic acid methyl ester
| Conditions | Yield |
|---|---|
| In diethyl ether; hexane at 0 - 20℃; |
- 41270-80-8
N-formylanthranilic acid methyl ester
- 66715-31-9
o-methoxycarbonylphenylisonitrile
| Conditions | Yield |
|---|---|
| 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℃; |
- 41270-80-8
N-formylanthranilic acid methyl ester
- 514805-22-2
1-(p-toluenesulfonyl)-1,2-heptadiene
- 514805-20-0
2-{Formyl-[(E)-1-(toluene-4-sulfonylmethyl)-hex-1-enyl]-amino}-benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| With dmap; potassium carbonate In water; N,N-dimethyl-formamide at 20℃; for 2h; | 60% |
- Total:16 Page 1 of 1 1
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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