5-(Chloromethyl)thiazole

Base Information

• Chemical Name: 5-(Chloromethyl)thiazole
• CAS No.: 45438-77-5
• Molecular Formula: C4H4ClNS
• Molecular Weight: 133.601
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID50276839
• Wikidata: Q82007564
• Mol file: 45438-77-5.mol

Synonyms:5-(chloromethyl)thiazole;45438-77-5;5-(chloromethyl)-1,3-thiazole;5-CHLOROMETHYLTHIAZOLE;5-Chloromethyl-thiazole;Thiazole,5-(chloromethyl)-;Thiazole, 5-(chloromethyl)-;SCHEMBL507903;DTXSID50276839;MFCD11870130;AKOS006382380;AB64977;AM100831;5-(Chloromethyl)-1,3-thiazole AldrichCPR;5-(Chloromethyl)-1,3-thiazole, AldrichCPR;CS-0038014;EN300-129286;F13827;A872384

Chemical Property of 5-(Chloromethyl)thiazole

Chemical Property:

• Boiling Point: 214.9 °C at 760 mmHg
• Flash Point: 83.8 °C
• PSA: 41.13000
• Density: 1.338 g/cm³
• LogP: 1.88190
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.9752980
• Heavy Atom Count: 7
• Complexity: 59.7

Purity/Quality:

99% ^*data from raw suppliers

5-(Chloromethyl)thiazole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC=N1)CCl

Technology Process of 5-(Chloromethyl)thiazole

There total 5 articles about 5-(Chloromethyl)thiazole 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: 87.73%

thiazol-5-yl-methanol (38585-74-9) → 5-thiazolylmethyl chloride (45438-77-5)

Guidance literature:

With thionyl chloride; In dichloromethane; for 3h;

Reference yield: 86.0%

→ 5-thiazolylmethyl chloride (45438-77-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃;

Reference yield: 62.8%

α-Cl-β-thiazolyl chloride (105827-91-6) → 5-thiazolylmethyl chloride (45438-77-5)

Guidance literature:

With hydrogen; nickel; In methanol; water; at 67.5 ℃; for 33h; under 0.0090009 Torr; Pressure; Time;

upstream raw materials:

thiazol-5-yl-methanol

5-methylthiazole

methanesulfonyl chloride

α-Cl-β-thiazolyl chloride

Downstream raw materials:

N-(thiazol-5-yl-methyl)ethylamine

N-(thiazol-5-ylmethyl)methylamine

methyl (S)-2-((tert-butoxycarbonyl)(thiazol-5-ylmethyl)amino)-3-phenylpropanoate

(1S,2R,2'R,4'S,2S)-1-((2-Benzyl-5-(((2-(t-butyl)amino)carbonyl)-4-((thiazol-5-yl)methyl)piperazin-1-yl)-4-hydroxypentanoyl)amino)indan-2-ol

Refernces

• 1、 Ang, Chee Wei,Tan, Lendl,Sykes, Melissa L.,Abugharbiyeh, Neda,Debnath, Anjan,Reid, Janet C.,West, Nicholas P.,Avery, Vicky M.,Cooper, Matthew A.,Blaskovich, Mark A. T.. "Antitubercular and Antiparasitic 2-Nitroimidazopyrazinones with Improved Potency and Solubility". . p. 15726 - 15751. Retrieved 2020/12/02.
• 2、 -. "Hetero-aromatic compound and its use in medicine (by machine translation)". Paragraph 0766; 0767. . Retrieved 2017/08/29.