methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate

Basic Information

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CAS Number

910122-42-8

Molecular Formula

C9H9N3O2

Molecular Weight

191.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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COC(=O)C1=C2C(=CC=C1)NC(=N2)N

InChI

InChI=1S/C9H9N3O2/c1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6/h2-4H,1H3,(H3,10,11,12)

InChIKey

SAWDEISHFZINBK-UHFFFAOYSA-N

LogP

0.9316999999999998

Topological Polar Surface Area

81.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

234

Synonyms & References

English

Methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate
Methyl 2-Amino-1H-benzoimidazole-4-carboxylate
2-amino-1H-Benzimidazole-7-carboxylic acid methyl ester
Methyl 2-amino-1H-benzimidazole-4-carboxylate
SAWDEISHFZINBK-UHFFFAOYSA-N
TRA0009773
SY015529
ST24047653
Methyl2-Amino-1H-benzoimidazole-4-carboxylate
Methyl 2-amino-1H-benzimidazole-7-carboxylate
methyl 2-amino-1H-1,3-benzodiazole
1H-Benzimidazole-4-carboxylic acid, 2-amino-, methyl ester (9CI)
Methyl 2-amino-1H-benzimidazole-7-carboxylate (ACI)
methyl 2-amino-1H-benzimidazole-4-carboxylate
AKOS017405252
910122-42-8
MFCD08436207
AKOS006288397
methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate
SCHEMBL1202057
AS-32046
methyl 2-amino-1H-1,3-benzodiazole-4-carboxylate
2-amino-1H-benzoimidazole-4-carboxylic acid methyl ester
DTXSID80647093
DB-355439
CS-0044485
2-amino-3H-benzoimidazole-4-carboxylic acid methyl ester
EN300-149109
2-Amino-1h-benzimidazole-7-carboxylic acid methyl ester

MDL Number

MFCD08436207

Customs Code

2933990090

FAQ

What are the physical and chemical properties of methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8)?

Methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8) is a white or off-white crystalline solid. It has a molecular weight of approximately 258.34 g/mol and a melting point of around 160-162°C. This compound is slightly soluble in water and more soluble in organic solvents like ethanol and acetonitrile. It is chemically reactive under basic conditions and can undergo amine reactions, ester hydrolysis, and condensation reactions.

How is methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8) typically synthesized?

Methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate is typically synthesized via a condensation reaction between methyl 2-benzimidazolylcarboxylate and ammonia. The synthesis involves heating the reactants under reflux in an inert atmosphere. The yield can be improved by using a catalyst and maintaining an appropriate pH. The product can be purified by recrystallization from ethanol.

What industries use methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8)?

Methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly for antifungal and antiviral drugs. It also finds applications in the development of sensors for detecting various chemicals and in the production of certain polymers. Additionally, it is used in the semiconductor industry for specific chemical treatments.

What precautions should be taken when handling methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8)?

When handling methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate (CAS: 910122-42-8), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or in a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and disposal.