ChemicalBook--->CAS DataBase List--->864293-44-7

864293-44-7

864293-44-7 Structure

864293-44-7 Structure
IdentificationBack Directory
[Name]

2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID
[CAS]

864293-44-7
[Synonyms]

2-AMino-5-broMo-3-Methoxybenzoic
2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID
Benzoic acid, 2-amino-5-bromo-3-methoxy-
2-Amino-5-bromo-3-(methyloxy)benzoic acid
[Molecular Formula]

C8H8BrNO3
[MDL Number]

MFCD11101005
[MOL File]

864293-44-7.mol
[Molecular Weight]

246.06
Chemical PropertiesBack Directory
[Boiling point ]

356.0±42.0 °C(Predicted)
[density ]

1.703±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[pka]

4.43±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C8H8BrNO3/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
[InChIKey]

YSBGYQUUOKRQAT-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID(864293-44-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-AMINO-3-METHOXYBENZOIC ACID

3177-80-8

2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID

864293-44-7

General procedure for the synthesis of 2-amino-5-bromo-3-methoxybenzoic acid from 2-amino-3-methoxybenzoic acid: 2-amino-3-methoxybenzoic acid (10.0 g, 59.8 mmol, 1.0 eq.) was dissolved in dichloromethane (DCM, 150 mL), followed by addition of N-bromosuccinimide (NBS, 10.6 g, 59.8 mmol 1.0 eq.). The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the solid product was collected by filtration and washed with dichloromethane (100 mL x 2) to give the final 2-amino-5-bromo-3-methoxybenzoic acid as a gray solid (12.1 g, 82.2% yield).

[References]

[1] Patent: US2009/203657, 2009, A1. Location in patent: Page/Page column 50
[2] Patent: US2009/203677, 2009, A1. Location in patent: Page/Page column 53
[3] Patent: US2009/197871, 2009, A1. Location in patent: Page/Page column 52-53
[4] Patent: WO2009/100169, 2009, A1. Location in patent: Page/Page column 131
[5] Journal of Medicinal Chemistry, 2018, vol. 61, # 14, p. 6087 - 6109
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