139669-96-8

Basic information

• Product Name: 5-Thiazolecarboxylic acid, 2,4-dibromo-
• Synonyms: 5-Thiazolecarboxylic acid, 2,4-dibromo-;2,4-Dibromo-5-thiazolecarboxylic acid;5-Thiazolecarboxylic acid, 2,4-dibromo- 2,4-Dibromo-5-thiazolecarboxylic acid
• CAS NO: 139669-96-8
• Molecular Formula: C4HBr2NO2S
• Molecular Weight: 286.92924
• Mol File: 139669-96-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 387.148 °C at 760 mmHg
• Flash Point: 187.941 °C
• Appearance: /
• Density: 2.452 g/cm³
• Refractive Index: 1.696
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.17±0.10(Predicted)
• CAS DataBase Reference: 5-Thiazolecarboxylic acid, 2,4-dibromo-(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Thiazolecarboxylic acid, 2,4-dibromo-(139669-96-8)
• EPA Substance Registry System: 5-Thiazolecarboxylic acid, 2,4-dibromo-(139669-96-8)

Safety Data

• Hazardous Substances Data: 139669-96-8(Hazardous Substances Data)

Usage

General Description

5-Thiazolecarboxylic acid, 2,4-dibromo- is a chemical compound with the molecular formula C5H2Br2NOS. It belongs to the thiazolecarboxylic acid family and is characterized by the presence of a thiazole ring and two bromine atoms. 5-Thiazolecarboxylic acid, 2,4-dibromo- has potential applications in the field of organic synthesis, medicinal chemistry, and material science. It may be used as a building block in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Due to its unique structure and reactivity, 5-Thiazolecarboxylic acid, 2,4-dibromo- has the potential to be used in the development of new drugs or materials with specific properties. However, it is important to handle and use this compound with caution, as it may have hazardous properties and require proper safety measures during handling and storage.

InChI:InChI=1/C4HBr2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)

Upstream product

• 139669-95-7 2,4-dibromo-1,3-thiazole-5-carbaldehyde 
• 124-38-9 carbon dioxide 
• 4175-77-3 2,4-dibromo-1,3-thiazole 

Downstream Products

• 918164-43-9 methyl 2,4-dibromothiazole-5-carboxylate 

Relevant articles and documents

Thiazolyl-benzimidazoles

The invention is directed to compounds of formula (1) [image] and pharmaceutically acceptable salts thereof, methods for the preparation thereof, and methods of use thereof.

Azoles. Part 8. Metallation and Bromine -> Lithium Exchange Reactions of Polyhalogenothiazoles

2,4-Dichloro- and 2,4-dibromo-thiazole were deprotonated at position-5 with LiN(iPr)2 in THF at -78 deg C and the resulting lithium compound was quenched with various reagents, to yield various trisubstituted thiazoles. 2,5-Dibromo-4-chlorothiazole reacted with n-butyllithium in THF at -78 deg C at position-5 and the resulting lithium derivative gave 2-bromo-4-chloro-5-substituted thiazoles when quenched with the appropriate reagent.Both the 2- and 5-bromine-atoms were reactive in diethyl ether. 2,5-Dibromothiazole failed to deprotonate at position-4 under various reaction conditions, whereas treatment of 2,4,5-tribromothiazole with 1 mole equivalent of n-butyllithium in THF at -90 deg C, followed by addition of dimethyl disulfide after 30 min, gave a high yield of the 2,5-bis(methylthio)-compound.The tribromo-compound was also treated with 1 mole equivalent of n-butyllithium or methyllithium under various reaction conditions and the products formed after hydrolysis were analysed by 1H NMR spectroscopy.The 5-bromine-atom is the most reactive and greater selectivity is obtained with methyllithium.