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2-Amino-4-bromobenzamide

2-Amino-4-bromobenzamide structure

CAS No:
112253-70-0
Formula:
C7H7BrN2O
Chemical Name:
2-Amino-4-bromobenzamide
Synonyms:
2-Amino-4-bromobenzamide;Benzamide, 2-amino-4-bromo-;2-amino-4-bromo-benzamide;4-bromoanthranilic amide;ACMC-20dy51;SCHEMBL159651;CTK0D2249;DTXSID10550026;ZINC34160008;AKOS017552343
Categories:
Chemical Reagents > Organic Reagents

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2-Amino-4-bromobenzamide Basic Attributes

Molecular Weight：

215.049

Exact Mass：

213.97400

DSSTox ID：

DTXSID10550026

HScode：

2924299090

Characteristics

PSA：

69.1

XLogP3：

2.1

Density：

1.698±0.06 g/cm3(Predicted)

Melting Point：

176-177℃

Boiling Point：

318.8±27.0 °C(Predicted)

Flash Point：

146.61ºC

Refractive Index：

1.667

Vapor Pressure：

0mmHg at 25°C

Safety Information

hazard class code：

safety instructions：

36/37

2-Amino-4-bromobenzamide Use and Manufacturing

Compound 37 (9.3 g, 43.1 mmol), HOBT (13.4 g, 99 mmol) and EDC.HC1 (19 g, 99 mmol) were dissolved in DMF (40 mL). The solution was stirred at 20°C for 30 minutes. To the solution, H3.HTo a solution of 2-amino-4-bromobenzoic acid (10g, 46.3 mmol) in tetrahydrofuran (THF) (10 mL) was added HOBT (16.30 g, 106 mmol) and EDC (20.41 g, 106 mmol). The mixture was stirred at 25 °C for 30 min when ammonia (30 mL, 1386 mmol) was added to the solution. The mixture was stirred at 25 °C for 18 hr. The solvent was removed in vacuo when EtOAc (200 mL) was added to the mixture. The organic phase was washed with NaHC0To a solution of 2-amino-4-bromobenzoic acid (1 equiv) in DMA (0.23 M), were added ammonium chloride (7 equiv), HBTU (1 equiv) and diisopropylethylamine (2 equiv). The reaction mixture was stirred for 24 hours at room temperature. DMA was evaporated and the residue was purified by flash column chromatography onto silica gel eluting with a gradient of TBME/hexane to yield the desired product as a white solid. 2-Amino-4-bromo-benzamide: 40 percent yield, 100 percent purity) m/z (LC-MS, ESP): 215 [M+H]Synthesis of 3:A mixture of 2 (2.0 g, 10.6 mmol) in EtOAc (200 mL) was treated with SnCl

Computed Properties

Molecular Weight:215.05
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.97418
Monoisotopic Mass:213.97418
Topological Polar Surface Area:69.1
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Amino-4-bromobenzamide

CAS No.: 112253-70-0

Content: 99.00%

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112253-70-0 2-amino-4-bromobenzamide

CAS No.: 112253-70-0

Grade: Industrial Grade

Content: 95%

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