4-(Difluoromethoxy)-2-methylthiazole-5-carboxylic acid

Name: 4-(Difluoromethoxy)-2-methylthiazole-5-carboxylic acid
Brand: ChemScene
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CAS No. 851755-45-8
Cat. No. CS-0514399
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-(Difluoromethoxy)-2-methylthiazole-5-carboxylic acid|CS-0514399

Structure of 851755-45-8

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General Information

CAS No. 851755-45-8
Cat. No. CS-0514399
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅F₂NO₃S
Molecular Weight 209.17
Synonym(s) 4-Difluoromethoxy-2-methyl-thiazole-5-carboxylic acid
SMILES O=C(C1=C(OC(F)F)N=C(C)S1)O

Description

This difluoromethoxy-substituted thiazole carboxylic acid features a sterically accessible carboxyl group paired with a moisture-tolerant, electron-deficient heterocyclic core. The para-positioned difluoromethoxy moiety enhances metabolic stability and modulates lipophilicity, enabling direct incorporation into bioactive scaffolds for medicinal chemistry applications.

Application

4-(Difluoromethoxy)-2-methylthiazole-5-carboxylic acid serves as a versatile building block for medicinal chemistry and agrochemical research, enabling the construction of thiazole-based heterocyclic scaffolds. The difluoromethoxy group enhances metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates direct amidation, esterification, or coupling reactions. Bench-stable and compatible with standard synthetic protocols, it functions effectively in peptide conjugation, macrocyclization, and diversity-oriented synthesis workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 59.42
LogP 1.75112
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Key Words

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4-(Difluoromethoxy)-2-methylthiazole-5-carboxylic acid

CAS No. 851755-45-8

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