2-(Trifluoromethyl)thiazole-4-carboxylic acid

Name: 2-(Trifluoromethyl)thiazole-4-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 915030-08-9
Cat. No. CS-W019092
Molecule weight197.14
Purity≥95%
MDL No.MFCD09258845

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-(Trifluoromethyl)thiazole-4-carboxylic acid|CS-W019092

Structure of 915030-08-9

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General Information

CAS No. 915030-08-9
Cat. No. CS-W019092
Purity ≥95%
MDL No. MFCD09258845
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₂F₃NO₂S
Molecular Weight 197.14
Synonym(s) 2-(Trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILES O=C(C1=CSC(C(F)(F)F)=N1)O

Description

2-(Trifluoromethyl)thiazole-4-carboxylic acid features a trifluoromethyl group at the 2-position and a carboxylic acid at the 4-position on a thiazole scaffold, delivering enhanced electron-withdrawing character and metabolic stability. This configuration supports direct incorporation into bioactive molecules, particularly in medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents. The compound exhibits good solubility under standard conditions and maintains bench stability during routine handling.

Application

2-(Trifluoromethyl)thiazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates direct amide formation or derivatization. The molecule exhibits good bench stability and compatibility with common reaction conditions, making it ideal for iterative library synthesis and API development.

Synthesis

Route1
- In-stock
  
  133046-46-5
- ~90%
- In-stock
  
  915030-08-9
References
- ORION CORPORATION; WOHLFAHRT, Gerd; TOeRMAeKANGAS, Olli; SALO, Harri; HOeGLUNG, Lisa; KARJALAINEN, Arja; KNUUTTILA, Pia; HOLM, Patrick; RASKU, Sirpa; VESALAINEN, Anniina Patent: WO2011/51540 A1, 2011 ; Location in patent: Page/Page column 140-141 ; WO 2011/051540 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 50.19
LogP 1.8601
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Key Words

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2-(Trifluoromethyl)thiazole-4-carboxylic acid

CAS No. 915030-08-9

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