3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid

Basic Information

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CAS Number

797806-58-7

Molecular Formula

C11H12N2O3

Molecular Weight

220.23 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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O=C(O)CCN1C(CO)=NC2=CC=CC=C12

InChI

InChI=1S/C11H12N2O3/c14-7-10-12-8-3-1-2-4-9(8)13(10)6-5-11(15)16/h1-4,14H,5-7H2,(H,15,16)

InChIKey

PFJKYWHOQRJTOU-UHFFFAOYSA-N

LogP

1.0033

Topological Polar Surface Area

75.35 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

260

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(2-(Hydroxymethyl)-1H-benzo[d]imidazol-1-yl)propanoic acid
2-(Hydroxymethyl)-1H-benzimidazole-1-propanoic acid
3-(2-Hydroxymethyl-benzoimidazol-1-yl)-propionic acid
3-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid
3-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid(SALTDATA: HCl H2O)
3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoic acid
3-[2-(hydroxymethyl)benzimidazolyl]propanoic acid
AC1LLBCV
Ambcb4009808
CTK5E7107
MolPort-001-947-620
SBB080958
STK927677
3-(2-Hydroxymethyl-benzoimidazol-1-yl)-propionicacid
BAS 00827476
9876AE
RTR

MDL Number

MFCD05237251

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid (CAS: 797806-58-7)?

3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid is a white crystalline solid with a molecular weight of approximately 266.31 g/mol. It is sparingly soluble in water and slightly soluble in ethanol. Chemically, it is reactive towards bases and can form salts. It is stable under normal conditions but should be stored in a cool, dry place away from moisture and heat.

How is 3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid (CAS: 797806-58-7) typically synthesized?

3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid can be synthesized via a multi-step process involving the reaction of 2-(hydroxymethyl)benzimidazole with propionic acid in the presence of an appropriate base such as potassium hydroxide. The yield is around 70-80%, and the method is selective and reproducible.

What industries use 3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid (CAS: 797806-58-7)?

3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid is used in the pharmaceutical industry for the development of certain drugs, as well as in the sensor and semiconductor industries for its unique chemical properties. It is also utilized in the polymer industry for specific applications requiring its functionality.

What precautions should be taken when handling 3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid (CAS: 797806-58-7)?

When handling 3-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]propanoic acid, it is recommended to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures. Ensure proper ventilation and store the compound in a cool, dry place away from heat sources.