ChemicalBook--->CAS DataBase List--->1248541-63-0

1248541-63-0

1248541-63-0 Structure

1248541-63-0 Structure
IdentificationBack Directory
[Name]

2,3-DiaMino-5-broMobenzoic acid Methyl ester
[CAS]

1248541-63-0
[Synonyms]

Methyl 5-bromo-2,3-diaminobenzoate
Methyl-2,3-diaMino-5-broMobenzoate
Methyl 5-bromo-2,3-diaminobenzoate 97%
2,3-DiaMino-5-broMobenzoic acid Methyl ester
Benzoic acid, 2,3-diamino-5-bromo-, methyl ester
[Molecular Formula]

C8H9BrN2O2
[MDL Number]

MFCD20037660
[MOL File]

1248541-63-0.mol
[Molecular Weight]

245.07
Chemical PropertiesBack Directory
[Boiling point ]

351.9±37.0 °C(Predicted)
[density ]

1.655±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[pka]

1.94±0.10(Predicted)
[Appearance]

Light brown to brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2922390090
Hazard InformationBack Directory
[Uses]

Methyl 2,3-diamino-5-bromobenzoate
[Synthesis]

methyl 2-amino-5-bromo-3-nitrobenzoate

636581-61-8

2,3-DiaMino-5-broMobenzoic acid Methyl ester

1248541-63-0

General procedure for the synthesis of methyl 2,3-diamino-5-bromo-5-bromobenzoate from methyl 2-amino-5-bromo-3-nitrobenzoate: Methyl 2-amino-5-bromo-3-nitrobenzoate (0.67 g, 2.44 mmol), iron powder (0.68 g, 12.0 mmol), and ammonium chloride (1.96 g, 37.0 mmol) were dissolved in a mixture of THF/ethanol/water (1:1:0.4 v/v, total 29 mL) in a solvent mixture. The reaction mixture was heated at 95 °C and stirred vigorously for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and filtered through a diatomaceous earth plug to remove insoluble solids. The diatomaceous earth plug was washed several times with methanol and tetrahydrofuran. The filtrate and washings were combined and concentrated under reduced pressure. The concentrated residue was partitioned between ethyl acetate and water. The organic layer was separated, washed once with saturated saline and concentrated again under reduced pressure to give methyl 2,3-diamino-5-bromobenzoate (0.59 g, 99% yield) as a yellow powder, which can be used in subsequent reactions without further purification.

[References]

[1] Patent: US2014/336190, 2014, A1. Location in patent: Paragraph 1526; 1527
[2] Patent: WO2016/180536, 2016, A1. Location in patent: Page/Page column 348
[3] Patent: WO2018/154088, 2018, A1. Location in patent: Paragraph 0146
[4] Patent: WO2005/70906, 2005, A1. Location in patent: Page/Page column 27
[5] Patent: WO2010/115736, 2010, A2. Location in patent: Page/Page column 73-74
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DiaMino-5-broMobenzoic acid Methyl ester(1248541-63-0)1HNMR
2,3-DiaMino-5-broMobenzoic acid Methyl ester(1248541-63-0)13CNMR
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