ChemicalBook--->CAS DataBase List--->21961-31-9

21961-31-9

21961-31-9 Structure

21961-31-9 Structure
IdentificationBack Directory
[Name]

methyl 3-amino-5-chlorobenzoate
[CAS]

21961-31-9
[Synonyms]

methyl 3-amino-5-chlorobenzoate
Methyl3-amino-5-chlorobenzoate98%
Methyl 3-amino-5-chlorobenzoate 98%
3-AMINO-5-CHLORO-BENZOIC ACID METHYL ESTER
Benzoic acid, 3-aMino-5-chloro-, Methyl ester
[Molecular Formula]

C8H8ClNO2
[MDL Number]

MFCD11053764
[MOL File]

21961-31-9.mol
[Molecular Weight]

185.61
Chemical PropertiesBack Directory
[Boiling point ]

329.4±22.0 °C(Predicted)
[density ]

1.311±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

2.39±0.10(Predicted)
[Appearance]

White to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

methyl 3-amino-5-chlorobenzoate(21961-31-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 3-chloro-5-nitrobenzoate

36138-28-0

methyl 3-amino-5-chlorobenzoate

21961-31-9

Step 2: Synthesis of methyl 3-amino-5-chlorobenzoate A dioxane solution (0.13 M) of methyl 3-chloro-5-nitrobenzoate (from Step 1) was placed in a reaction flask and SnCl2 (3.9 equiv) was added. The reaction mixture was stirred at 70 °C for 2 hours. After completion of the reaction, it was cooled to room temperature and EtOAc and saturated aqueous NaHCO3 solution was added. The reaction mixture was filtered to remove the precipitate formed. The aqueous phase was separated and extracted with EtOAc. All organic layers were combined and dried with anhydrous Na2SO4. Evaporation of the solvent under reduced pressure afforded the title compound methyl 3-amino-5-chlorobenzoate in 88% yield as a yellow solid. Mass spectrum (ES+) m/z 186,188 (M+H)+.

[References]

[1] Patent: WO2007/28789, 2007, A1. Location in patent: Page/Page column 35
[2] Patent: US2010/261687, 2010, A1. Location in patent: Page/Page column 60
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