(2-Methyl-1H-benzimidazol-1-yl)acetic acid

Basic Information

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CAS Number

40332-17-0

Molecular Formula

C10H10N2O2

Molecular Weight

190.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

254-256 ºC

SMILES

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CC1=NC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)

InChIKey

SMGBDFGKVGSCGB-UHFFFAOYSA-N

LogP

1.42932

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

232

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Enamine_001840
2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetic acid
AS-19407
SR-01000482271-1
CS-0207381
AMY11440
2-Methyl-1H-benzimidazole-1-acetic acid
1H-Benzimidazole-1-acetic acid, 2-methyl-
HMS1399D14
SR-01000482271
SCHEMBL3587930
J-500848
SMGBDFGKVGSCGB-UHFFFAOYSA-N
BB 0219666
Z56812811
(2-Methyl-benzoimidazol-1-yl)-acetic acid
AKOS000100692
2-(2-methyl-1H-1,3-benzimidazol-1-yl)acetic acid
EN300-00790
MFCD14585018
Oprea1_784008
DTXSID00352117
FT-0646193
(2-Methylbenzoimidazol-1-yl)acetic acid
2-(2-methylbenzimidazol-1-yl)acetic acid
2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetic acid
Oprea1_058908
40332-17-0
MFCD00621731
(2-methyl-1H-benzimidazol-1-yl)acetic acid
(2-Methyl-benzoimidazol-1-yl)acetic acid

MDL Number

MFCD00621731

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (2-Methyl-1H-benzimidazol-1-yl)acetic acid (CAS: 40332-17-0)?

(2-Methyl-1H-benzimidazol-1-yl)acetic acid (CAS: 40332-17-0) is a white crystalline solid with a molecular weight of approximately 217.24 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it shows basic properties due to the presence of a benzimidazole ring and is reactive towards acids and bases. It is stable under normal laboratory conditions but can react with strong oxidizing agents.

How is (2-Methyl-1H-benzimidazol-1-yl)acetic acid (CAS: 40332-17-0) typically synthesized?

(2-Methyl-1H-benzimidazol-1-yl)acetic acid can be synthesized through a multi-step process involving the condensation of 2-methylbenzimidazole with acetic anhydride. The reaction is typically carried out in the presence of a catalyst such as p-toluenesulfonic acid. The yield is around 75-80%, and the product can be purified by recrystallization from ethanol.

What industries use (2-Methyl-1H-benzimidazol-1-yl)acetic acid (CAS: 40332-17-0)?

(2-Methyl-1H-benzimidazol-1-yl)acetic acid is primarily used in the pharmaceutical industry for the synthesis of various drugs due to its biological activity. It is also utilized in the polymer industry for enhancing the properties of certain polymers and in the sensor industry for developing gas sensors. Additionally, it finds applications in the semiconductor industry as a precursor in the fabrication of electronic materials.

What precautions should be taken when handling (2-Methyl-1H-benzimidazol-1-yl)acetic acid (CAS: 40332-17-0)?

When handling (2-Methyl-1H-benzimidazol-1-yl)acetic acid (CAS: 40332-17-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure adequate ventilation and perform the work in a fume hood. Spills should be carefully cleaned up using appropriate procedures, and the material safety data sheet (MSDS) should be consulted for detailed guidelines. All waste should be disposed of according to local regulations.