40003-41-6

Basic information

• Product Name: 2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
• Synonyms: 2-BROMO-4-METHYLTHIAZOLE-5-CARBOXYLIC ACID;2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID;IFLAB-BB F2124-0223;2-BROMO-4-METHYLTHIAZOLE-5-CARBOXYLIC A&;2-BroMo-4-Methyl-5-thiazolecarboxylic acid;2-Bromo-4-methylthiazole-5-carboxylic acid 96%;5-Thiazolecarboxylic acid, 2-bromo-4-methyl-
• CAS NO: 40003-41-6
• Molecular Formula: C₅H₄BrNO₂S
• Molecular Weight: 222.06
• Product Categories: Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Thiazoles;ThiazolesHeterocyclic Building Blocks
• Mol File: 40003-41-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: 158 °C (dec.)
• Boiling Point: 349.5 °C at 760 mmHg
• Flash Point: 165.2 °C
• Appearance: /
• Density: 1.895g/cm³
• Vapor Pressure: 1.75E-05mmHg at 25°C
• Refractive Index: 1.639
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: soluble in Methanol
• PKA: 2.16±0.37(Predicted)
• CAS DataBase Reference: 2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID(40003-41-6)
• EPA Substance Registry System: 2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID(40003-41-6)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• WGK Germany: 3
• Hazardous Substances Data: 40003-41-6(Hazardous Substances Data)

Usage

Uses

2-Bromo-4-methyl-5-thiazolecarboxylic Acid, is a heterocyclic building block used for the preparation of various chemicals. It is used in the synthesis of new azole Antifungals.

InChI:InChI=1/C5H4BrNO2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9)

Upstream product

• 22900-83-0 ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate 
• 67899-00-7 2-amino-4-methyl-thiazole-5-carboxylic acid 
• 7210-76-6 ethyl-2-amino-4-methylthiazole-5-carboxylate 

Downstream Products

• 58535-96-9 2-(4-methoxycarbonylmethoxy-phenylsulfanyl)-4-methyl-thiazole-5-carboxylic acid 
• 40003-44-9 2-chloro-4-methyl-thiazole-5-carboxylic acid anilide 
• 40003-45-0 2-bromo-4-methyl-N-phenylthiazole-5-carboxamide 
• 81569-51-9 methyl 2-bromo-4-methylthiazole-5-carboxylate 
• 1009378-44-2 2-bromo-4-methyl-thiazole-5-carboxylic acid (pyridine-3-ylmethyl)-amide 
• 144060-53-7 febuxostat 
• 81569-41-7 tert-butyl 2-bromo-4-methylthiazole-5-carboxylate 

Relevant articles and documents

Pyrazole-Thiazole Core-Containing Analogs Exhibit Adjunctive Activity with Meropenem against Carbapenem-Resistant Enterobacteriaceae (CRE)

Pyrazole-thiazole core-containing compound KP-40 and 20 novel derivatives were designed and synthesized through traditional SAR analysis. These molecules displayed adjunctive activity with meropenem against Gram-negative bacteria evidenced by a range of fractional inhibitory concentration (FIC=0.5–0.25) and minimum adjunctive concentration (MAC=128–32 μM) values. Of this series of molecules, four compounds displayed notable adjunctive potential, with FIC and MAC values of 0.25 and 32 μM, respectively. Moreover, the solubility of these compounds was improved to an acceptable range. Further analysis using our “in house” permeation and efflux multi parameter optimization (PEMPO) algorithm revealed key physicochemical properties that may be critical for the development of active Gram-negative antibacterials. Taking PEMPO scores into consideration prior to executing synthesis of analogs may be a simple, yet rapid and effective strategy that can be used in conjunction with traditional SAR approaches to aid in the design of potent Gram-negative antibacterials.

Green synthesis approaches of 2-bromo-4-methyl thiazole-5-carboxamide derivatives as potent microbial agents

As a part of our ongoing research in the development of new, selective and environmental friendly methodologies, herein we report a new series of 2-bromo-4-methylthiazole-5-carboxamide derivatives using polyethylene glycol-400 (PEG-400) as a solvent. All

Process for the preparation of thiazole derivatives

This document discloses a process for the preparation of a synthetic intermediate in the synthesis of molecules having the following formula (I):