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253120-47-7

253120-47-7 Structure

253120-47-7 Structure
IdentificationBack Directory
[Name]

METHYL 2-AMINO-3-CARBOXYBENZOATE
[CAS]

253120-47-7
[Synonyms]

METHYL 2-AMINO-3-CARBOXYBENZOATE
2-Amino-3-(methoxycarbonyl)benzoi
2- aMino-3- carboxyMethyl benzoate
Methyl 2-amino-3-carboxybenzoate 97%
6-Carboxy-2-(methoxycarbonyl)aniline
2-aMino-3-(Methoxycabonyl)benzoic acid
3-(Methoxycarbonyl)-2-aMinobenzoic acid
2-Amino-3-(methoxycarbonyl)benzoic acid
2-AMINO-ISOPHTHALIC ACID MONOMETHYL ESTER
METHYL 2-AMINO-3-CARBOXYBENZOATE USP/EP/BP
2-Amino-3-(methoxycarbonyl)benzoic acid 97%
1,3-Benzenedicarboxylic acid, 2-amino-, 1-methyl ester
1,3-Benzenedicarboxylicacid,2-amino-,monomethylester(9CI)
2-Carboxy-6-(methoxycarbonyl)aniline, Methyl 2-amino-3-carboxybenzoate, 1-Methyl 2-aminoisophthalate
[EINECS(EC#)]

676-023-0
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD06200897
[MOL File]

253120-47-7.mol
[Molecular Weight]

195.17
Chemical PropertiesBack Directory
[Melting point ]

160 °C
[Boiling point ]

370.4±32.0 °C(Predicted)
[density ]

1.373±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

4.57±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C9H9NO4/c1-14-9(13)6-4-2-3-5(7(6)10)8(11)12/h2-4H,10H2,1H3,(H,11,12)
[InChIKey]

UXQCFHRNRAGKOY-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)=CC=CC(C(O)=O)=C1N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[Hazard Note ]

Irritant
[HS Code ]

2922500090
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 2-AMINO-3-CARBOXYBENZOATE(253120-47-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl2,3-dioxoindoline-7-carboxylate

103030-10-0

METHYL 2-AMINO-3-CARBOXYBENZOATE

253120-47-7

Step 1: Synthesis of 2-amino-3-(methoxycarbonyl)benzoic acid Methyl 2,3-dioxo dihydroindole-7-carboxylate (1 eq.) was dissolved in methanol (0.4 M) and hydrogen chloride gas was passed into the solution at 0 °C with continuous stirring of the reaction mixture for 2 hours. After completion of the reaction, the solvent was removed by evaporation and the resulting residue was diluted with chloroform, washed sequentially with saturated aqueous sodium bicarbonate and brine, and the organic phase was dried over anhydrous sodium sulfate and then concentrated to give the crude product (MS (ES+) m/z 206 (M+H)+). The above crude product was dissolved in 10% aqueous hydrogen peroxide solution, prepared as 0.2 M. An equal volume of 2.5% aqueous sodium hydroxide solution was added and the reaction was stirred for 15 min at room temperature. At the end of the reaction, the reaction mixture was acidified with concentrated hydrochloric acid, the precipitate precipitated was collected by filtration and washed with water to obtain monomethyl 2-aminoisophthalate in 88% yield as a white powder. Product characterization data: 1H NMR (400MHz, DMSO-d6, 300K) δ 3.82 (s, 3H), 6.60 (t, 1H, J=7.4Hz), 8.04 (m, 3H), 12.94 (bs, 1H); MS (ES+) m/z 196 (M+H)+.

[References]

[1] Synthetic Communications, 1999, vol. 29, # 23, p. 4223 - 4233
[2] Patent: WO2007/28789, 2007, A1. Location in patent: Page/Page column 31
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