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2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID

2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID structure

CAS No:
76391-97-4
Formula:
C8H7N3O2
Chemical Name:
2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
Synonyms:
2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID;2-AMINO-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID;1H-Benzimidazole-5-carboxylicacid,2-amino-(9CI);2-amino-1H-benzo[d]imidazole-5-carboxylic acid;2-amino-1H-Benzimidazole-6-carboxylic acid;1H-Benzimidazole-6-carboxylicacid, 2-amino-;2-AMINO-BENZIMIDAZOLE-5-CARBOXYLIC ACID
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.05400

DSSTox ID：

DTXSID90538342

HScode：

2933990090

Characteristics

PSA：

XLogP3：

0.8

Density：

1.611 g/cm3

Boiling Point：

540.429°C at 760 mmHg

Flash Point：

280.6ºC

Refractive Index：

1.819

Safety Information

hazard class code：

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID Use and Manufacturing

A solution of cyanogen bromide (5.0 mL, 5 M in acetonitrile, 25 mmol) was added to a mixture of methyl 3, 4-diaminobenzoate (3.0 g, 18 mmol) in water (50 mL). The reaction was stirred at room temperature overnight. Aqueous ammonia (20 mL) and ethyl acetate (100 mL) were added to the reaction mixture and the layers were separated. The organics were dried over sodium sulfate, filtered, and concentrated. To the crude residue was added 2 N aqueous hydrochloric acid (18 mL, 36.0 mmol) and the mixture was heated at reflux overnight. The reaction was concentrated to give the title compound (2.90 g, 97percent). Intermediate 14 : 2-amino-1H-benzo[d]imidazole-5-carboxylic acid, shown below, was prepared as follows:A solution of cyanogen bromide (5.0 mL, 5 M in acetonitrile, 25 mmol) was added to a mixture of methyl 3, 4-diaminobenzoate (3.0 g, 18 mmol) in water (50 mL). The reaction was stirred at room temperature overnight. Aqueous ammonia (20 mL) and ethyl acetate (100 mL) were added to the reaction mixture and the layers were separated. The organics were dried over sodium sulfate, filtered, and concentrated. To the crude residue was added 2 N aqueous hydrochloric acid (18 mL, 36.0 mmol) and the mixture was heated at reflux overnight. The reaction was concentrated to give the title compound (2.90 g, 97percent).

Computed Properties

Molecular Weight:177.16
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:177.053826475
Monoisotopic Mass:177.053826475
Topological Polar Surface Area:92
Heavy Atom Count:13
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID

CAS No.: 76391-97-4

Grade: Industrial Grade

Content: 99%

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Guide of 2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

2-AMINO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID

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