4-Bromo-2-chlorothiazole

Base Information

• Chemical Name: 4-Bromo-2-chlorothiazole
• CAS No.: 92977-45-2
• Molecular Formula: C₃HBrClNS
• Molecular Weight: 198.471
• Hs Code.: 2934208090
• European Community (EC) Number: 804-704-6
• DSSTox Substance ID: DTXSID00470800
• Wikidata: Q82298976
• Mol file: 92977-45-2.mol

Synonyms:4-Bromo-2-chlorothiazole;92977-45-2;4-bromo-2-chloro-1,3-thiazole;MFCD09746336;Thiazole, 4-bromo-2-chloro-;Thiazole,4-bromo-2-chloro-;SCHEMBL2301410;AMY5344;DTXSID00470800;CS1371;4-Bromo-2-chlorothiazole, AldrichCPR;AKOS006330369;MB07558;AC-31236;DS-13795;SY032515;FT-0685933;EN300-253352;J-514633;(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETICACID

Chemical Property of 4-Bromo-2-chlorothiazole

Chemical Property:

• Vapor Pressure: 0.029mmHg at 25°C
• Melting Point: 59-60 °C
• Refractive Index: 1.622
• Boiling Point: 253.789°C at 760 mmHg
• PKA: -1.93±0.10(Predicted)
• Flash Point: 107.288°C
• Density: 1.979g/cm³
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.87016
• Heavy Atom Count: 7
• Complexity: 72

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-chloro-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)Cl)Br
• Uses: 4-Bromo-2-chlorothiazole is used in the preparation of bipiperidinyl compounds which are useful as agonists of the G-protein coupled receptors GPR-119 for treating or preventing type 2 diabetes and similar.

Technology Process of 4-Bromo-2-chlorothiazole

There total 2 articles about 4-Bromo-2-chlorothiazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

2,4-dibromo-1,3-thiazole (4175-77-3) → 4-bromo-2-chlorothiazole (92977-45-2)

Guidance literature:

2,4-dibromo-1,3-thiazole; With n-butyllithium; In diethyl ether; hexane; at -80 ℃; for 1h;

With hexachloroethane; In diethyl ether; hexane; at -80 - 20 ℃;

DOI:10.1021/jo0601009

Reference yield: 75.0%

5-bromo-2-chloro-1,3-thiazole (3034-56-8) → 4-bromo-2-chlorothiazole (92977-45-2)

Guidance literature:

5-bromo-2-chloro-1,3-thiazole; With lithium diisopropyl amide; In tetrahydrofuran; at -80 ℃;

With ethanol; In tetrahydrofuran; at -80 - 20 ℃; Further stages.;

DOI:10.1055/s-2007-992354

upstream raw materials:

2,4-dibromo-1,3-thiazole

5-bromo-2-chloro-1,3-thiazole