4-Bromothiazole

Base Information

• Chemical Name: 4-Bromothiazole
• CAS No.: 34259-99-9
• Molecular Formula: C3H2BrNS
• Molecular Weight: 164.026
• Hs Code.: 29341000
• European Community (EC) Number: 627-626-2
• DSSTox Substance ID: DTXSID60376819
• Nikkaji Number: J465.884A
• Wikidata: Q72512861
• ChEMBL ID: CHEMBL5170049
• Mol file: 34259-99-9.mol

Synonyms:4-Bromothiazole;34259-99-9;4-bromo-1,3-thiazole;4-bromo thiazole;4-Bromo-thiazole;Thiazole, 4-bromo-;MFCD06657592;4-bromothiazol;4-Bromothiazole, 97%;SCHEMBL9290;CHEMBL5170049;DTXSID60376819;VDTIGYKLTROQAH-UHFFFAOYSA-N;BCP27325;BBL101068;STL554862;AKOS005255993;CS-W001221;PS-6077;SB36714;AC-22762;SY005274;A6029;AM20090525;B4594;FT-0602276;EN300-68540;W-202399

Chemical Property of 4-Bromothiazole

Chemical Property:

• Vapor Pressure: 0.535mmHg at 25°C
• Refractive Index: n20/D 1.602
• Boiling Point: 197.4 °C at 760 mmHg
• PKA: -0.05±0.10(Predicted)
• Flash Point: 73.2 °C
• PSA: 41.13000
• Density: 1.857g/cm³
• LogP: 1.90560
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.90913
• Heavy Atom Count: 6
• Complexity: 50.1

Purity/Quality:

99% ^*data from raw suppliers

4-Bromothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CS1)Br

Technology Process of 4-Bromothiazole

There total 8 articles about 4-Bromothiazole 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: 99.0%

2,4-dibromo-1,3-thiazole (4175-77-3) → 4-bromo-1,3-thiazole (34259-99-9)

Guidance literature:

2,4-dibromo-1,3-thiazole; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.5h;

With methanol; In diethyl ether; hexane; at -78 - 20 ℃; for 16h;

Reference yield:

4-bromo-2-lithiothiazole (173978-99-9) → 4-bromo-1,3-thiazole (34259-99-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; cyclohexane; at -78 - 20 ℃;

Reference yield:

3-(methylthio)thiophene (20731-74-2) → 4-bromo-1,3-thiazole (34259-99-9)

Guidance literature:

With N-Bromosuccinimide; In water; acetic acid;

upstream raw materials:

4-Bromo-2-trimethylsilylthiazole

2,4,5-tribromothiazole

2,4-dibromo-1,3-thiazole

4-bromo-2-lithiothiazole

Downstream raw materials:

3-(5-methyl-3-phenylisoxazol-4-yl)-8-thiazol-4-yl-5H-[1,2,4]triazolo[3,4-a]isoindole

tert-butyl 4-(thiazol-4-yl)benzylcarbamate

4-bromo-2-(phenylethynyl)-1,3-thiazole

1-[5-chloro-2-methoxy-4-methyl-3-(1,3-thiazol-4-yl)phenyl]ethanone

Refernces

• 1、 Li, Bryan,Barnhart, Richard W.,Dion, Amelie,Guinness, Steven,Happe, Alan,Hayward, Cheryl M.,Kohrt, Jeffrey,Makowski, Teresa,Maloney, Mark,Nelson, Jade D.,Nematalla, Asaad,McWilliams, J. Christopher,Peng, Zhihui,Raggon, Jeffrey,Sagal, John,Weisenburger, Gerald A.,Bao, Denghui,Gonzalez, Miguel,Lu, Jiangping,McLaws, Mark D.,Tao, Jian,Wu, Baolin. "Process Development of a Second Generation β-Amyloid-Cleaving Enzyme Inhibitor - Improving the Robustness of a Halogen-Metal Exchange Using Continuous Stirred-Tank Reactors". . p. 1440 - 1453. Retrieved 2021/06/21.
• 2、 Conboy, Gary,Taylor, Rupert G. D.,Findlay, Neil J.,Kanibolotsky, Alexander L.,Inigo, Anto R.,Ghosh, Sanjay S.,Ebenhoch, Bernd,Krishnan Jagadamma, Lethy,Thalluri, Gopala Krishna V. V.,Sajjad, Muhammad T.,Samuel, Ifor D. W.,Skabara, Peter J.. "Novel 4,8-benzobisthiazole copolymers and their field-effect transistor and photovoltaic applications". supporting information. p. 11927 - 11936. Retrieved 2017/11/30.