CHLORMETHIAZOLE HYDROCHLORIDE

Base Information

• Chemical Name: CHLORMETHIAZOLE HYDROCHLORIDE
• CAS No.: 6001-74-7
• Molecular Formula: C6H9Cl2NS
• Molecular Weight: 198.11
• Hs Code.: 2934100090
• European Community (EC) Number: 611-928-6
• UNII: 85223EMG44
• DSSTox Substance ID: DTXSID80597589
• Wikidata: Q27269575
• Mol file: 6001-74-7.mol

Synonyms:4-methyl-5-(β-chloroethyl)thiazole hydrochloride;4-methyl-5-(β-chloroethyl)thiazole hydrochloride, 5-(2-Chloroethyl)-4-methylthiazole hydrochloride, Clomethiazole hydrochloride, Somnevrin hydrochloride

Chemical Property of CHLORMETHIAZOLE HYDROCHLORIDE

Chemical Property:

• Melting Point: 130℃
• PSA: 57.14000
• LogP: 2.23800
• Solubility.: H2O: >10 mg/mL, soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.9832759
• Heavy Atom Count: 10
• Complexity: 89.1

Purity/Quality:

99% ^*data from raw suppliers

Chlormethiazole hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(SC=N1)CCCl.Cl
• Uses: Chlormethiazole Hydrochloride was used in the study of effect of thiazole methiodide and hydrochloride fractions of thiamine upon the neuromuscular system.
• Clinical Use: #N/A
• Drug interactions: Potentially hazardous interactions with other drugs Antipsychotics: enhanced sedative effects. Antivirals: concentration possibly increased by ritonavir. Cimetidine: inhibits metabolism of clomethiazole.

Technology Process of CHLORMETHIAZOLE HYDROCHLORIDE

There total 2 articles about CHLORMETHIAZOLE HYDROCHLORIDE 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: 71.0%

5-hydroxyethyl-4-methylthiazole (137-00-8,8042-97-5) → 2-(4-methylthiazol-5-yl)ethyl chloride hydrochloride (6001-74-7)

Guidance literature:

With thionyl chloride; In benzene; for 15h;

DOI:10.1021/jm00106a051

Reference yield:

→ 2-(4-methylthiazol-5-yl)ethyl chloride hydrochloride (6001-74-7)

Guidance literature:

Reference yield: 63.0%

2-(4-methylthiazol-5-yl)ethyl chloride hydrochloride (6001-74-7) + N-[4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide (61086-18-8) → N-{4-Methoxymethyl-1-[2-(4-methyl-thiazol-5-yl)-ethyl]-piperidin-4-yl}-N-phenyl-propionamide (131758-54-8)

Guidance literature:

With sodium carbonate; sodium iodide; In acetonitrile; Heating;

DOI:10.1021/jm00106a051

upstream raw materials:

5-hydroxyethyl-4-methylthiazole

Downstream raw materials:

N-{4-Methoxymethyl-1-[2-(4-methyl-thiazol-5-yl)-ethyl]-piperidin-4-yl}-N-phenyl-propionamide

1-[2-(4-Methyl-thiazol-5-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

Refernces

• 1、 Bagley,Thomas,Rudo,Spencer,Doorley,Ossipov,Jerussi,Benvenga,Spaulding. "New 1-(heterocyclylalkyl)-4-(propionanilido)-4-piperidinyl methyl ester and methylene methyl ether analgesics". . p. 827 - 841. Retrieved 2007/10/02.