89250-26-0

Basic information

• Product Name: 2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE
• Synonyms: Astragalus Polysacharin/Astragalus Root Extract;2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOL;2-(Chloromethyl)-4-(4-nitrophenyl)-1,4-thiazole;2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE;Astragalus Polysacharin;2-(Chloromethyl)-4-(4-nitrophenyl)thiazole;Astragalus pulysacharide;thiazole, 2-(chloroMethyl)-4-(4-nitrophenyl)-
• CAS NO: 89250-26-0
• Molecular Formula: C₁₀H₇ClN₂O₂S
• Molecular Weight: 254.69
• EINECS: 2017-001-1
• Product Categories: Plant extracts
• Mol File: 89250-26-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 154.5 °C
• Boiling Point: 406.2 °C at 760 mmHg
• Flash Point: 199.5 °C
• Appearance: /
• Density: 1.439
• Vapor Pressure: 1.95E-06mmHg at 25°C
• Refractive Index: 1.638
• Storage Temp.: 2-8°C
• PKA: 0.32±0.10(Predicted)
• CAS DataBase Reference: 2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE(89250-26-0)
• EPA Substance Registry System: 2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE(89250-26-0)

Safety Data

• Statements: 34
• Safety Statements: 22-26-36/37/39-45
• Hazardous Substances Data: 89250-26-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE is used as a synthetic intermediate for the development of pharmaceutical compounds. Its unique structure allows for the creation of new molecules with potential therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE is utilized as a precursor in the synthesis of agrochemicals. Its reactivity and functional groups enable the production of compounds with pesticidal or herbicidal properties, supporting agricultural productivity and crop protection.
Used in Organic Synthesis:
2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE is employed as a versatile building block in organic synthesis. Its chloromethyl and nitrophenyl substituents can be further modified to generate a range of chemical entities with specific properties, broadening its applications in various fields.
Safety Precautions:
Given the potential hazards associated with 2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE, it is essential to follow proper safety protocols when handling this chemical. This includes using personal protective equipment, working in a well-ventilated area, and adhering to guidelines for chemical storage and disposal.

InChI:InChI=1/C10H7ClN2O2S/c11-5-10-12-9(6-16-10)7-1-3-8(4-2-7)13(14)15/h1-4,6H,5H2

Upstream product

• 53101-04-5 ethyl 4-(4-nitrophenyl)-1,3-thiazole-2-carboxylate 
• 99-81-0 4-Nitrophenacyl bromide 
• 4414-97-5 2-benzoyloxymethyl-4-(4-nitro-phenyl)-thiazole 
• 4414-98-6 [4-(4-nitro-phenyl)-thiazol-2-yl]-methanol 
• 65385-00-4 2-chloromethyl-4-phenylthiazole 

Downstream Products

• 25021-46-9 4-(4-nitro-phenyl)-2-phenoxymethyl-thiazole 
• 859478-46-9 2-ethoxymethyl-4-(4-nitro-phenyl)-thiazole 
• 125983-38-2 4-(4-Nitro-phenyl)-thiazole-2-carbodithioic acid methyl ester 

Relevant articles and documents

Design, synthesis, and biological evaluation of N,N-disubstituted-4-arylthiazole-2-methylamine derivatives as cholesteryl ester transfer inhibitors

Cholesteryl ester transfer protein (CETP) has been identified as a potential target for cardiovascular disease (CVD) for its important role in the reverse cholesteryl transfer (RCT) process. In our previous work, compound 5 was discovered as a moderate CETP inhibitor. The replacement of the amide linker by heterocyclic aromatics and then a series of N,N-substituted-4-arylthiazole-2-methylamine derivatives were designed by utilizing a conformational restriction strategy. Thirty-six compounds were synthesized and evaluated for their CETP inhibitory activities. Structure-activity relationship studies indicate that electron donor groups substituted ring A, and electron-withdrawing groups at the 4-position of ring B were critical for potency. Among these compounds, compound 30 exhibited excellent CETP inhibitory activity (IC50 = 0.79 ± 0.02 μM) in vitro and showed an acceptable metabolic stability.