4-(Chloromethyl)-2-methylthiazole hydrochloride

Base Information

• Chemical Name: 4-(Chloromethyl)-2-methylthiazole hydrochloride
• CAS No.: 77470-53-2
• Molecular Formula: C5H7Cl2NS
• Molecular Weight: 184.089
• Hs Code.: 29341000
• DSSTox Substance ID: DTXSID10370160
• Mol file: 77470-53-2.mol

Synonyms:77470-53-2;4-(Chloromethyl)-2-methylthiazole hydrochloride;4-Chloromethyl-2-methylthiazole hydrochloride;4-(chloromethyl)-2-methyl-1,3-thiazole Hydrochloride;4-(Chloromethyl)-2-methylthiazole HCl;2-methyl-4-(chloromethyl)thiazole hydrochloride;MFCD00067725;4-Chloromethyl-2-methylthiazole, HCl;4-Chloromethyl-2-methyl-1,3-thiazole, Hydrochloride;4-CHLOROMETHYL-2-METHYLTHIAZOLE HCL;4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride;4-Chloromethyl-2-methyl thiazole hydrochloride;4-Chloromethyl-2-methyl-thiazole hydrochloride;4-chloromethyl-2-methyl-1,3-thiazole hydrochloride;SCHEMBL246151;DTXSID10370160;YGKDISJLDVGNOR-UHFFFAOYSA-N;AKOS008967097;CS-W017021;AM804353;SY036523;2-methyl-4-chloromethylthiazole hydrochloride;FT-0616725;4-(chloromethyl)-2-methyl-1,3-thiazole HCl;EN300-06501;4-(Chloromethyl)-2-methythiazole Hydrochloride;4-Chloromethyl-2-methylthiazole, hydrochloride;4-(Chloromethyl)-2-methyl thiazole hydrochloride;4-(chloromethyl)-2-methylthiazole monohydrochloride;J-513694;F2158-0040;4-(Chloromethyl)-2-methyl-1,3-thiazole--hydrogen chloride (1/1)

Chemical Property of 4-(Chloromethyl)-2-methylthiazole hydrochloride

Chemical Property:

• Appearance/Colour: light-yellow oil
• Melting Point: 161-163 °C
• Boiling Point: 217.5 °C at 760 mmHg
• Flash Point: 85.3 °C
• PSA: 41.13000
• LogP: 2.99230
• Storage Temp.: -20°C Freezer
• Sensitive.: Lachrymatory
• Solubility.: DMSO, Methanol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.9676258
• Heavy Atom Count: 9
• Complexity: 78.8

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloromethyl-2-methyl-1,3-thiazole, Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)CCl.Cl
• Uses: 4-Chloromethyl-2-methyl-1,3-thiazole, Hydrochloride (cas# 77470-53-2) is a compound useful in organic synthesis.

Technology Process of 4-(Chloromethyl)-2-methylthiazole hydrochloride

There total 5 articles about 4-(Chloromethyl)-2-methylthiazole 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: 93.0%

4-chloromethyl-2-methyl-4,5-dihydro-thiazol-4-ol (21262-97-5) → 4-chloromethyl-2-methylthiazole hydrochloride (77470-53-2)

Guidance literature:

With thionyl chloride; In 1,2-dichloro-ethane; at 30 - 70 ℃; for 0.5h;

Reference yield: 89.0%

C5H8ClNOS*ClH (22043-38-5) → 4-chloromethyl-2-methylthiazole hydrochloride (77470-53-2)

Guidance literature:

C₅H₈ClNOS*ClH; With zinc(II) chloride; In methanol; for 4h; Reflux;

With sodium carbonate;

With acetyl chloride; In ethanol;

DOI:10.3390/molecules18010097

Reference yield:

thioacetamide (62-55-5) + 1,3-Dichloroacetone (534-07-6) → 4-chloromethyl-2-methylthiazole hydrochloride (77470-53-2)

Guidance literature:

With magnesium sulfate; In acetone; Heating;

DOI:10.1021/jm970636+

upstream raw materials:

thioacetamide

1,3-Dichloroacetone

4-chloromethyl-2-methyl-4,5-dihydro-thiazol-4-ol

C₅H₈ClNOS*ClH

Downstream raw materials:

2-methylthiazole-4-carbaldehyde

tert-butyl (1S)-2-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-1-[(2S)-oxiranyl]-ethylcarbamate

4-[4-(4-Chlorobenzhydryl)piperazin-1-ylmethyl]-2-methylthiazole monofumarate

4-methyl-3-[2-methyl-4-(2-methyl-thiazol-4-ylmethoxy)-6-oxo-6H-pyrimidin-1-yl]-benzoic acid methyl ester

Refernces

• 1、 -. "SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS". Page/Page column 37. . Retrieved 2010/11/25.
• 2、 Gellis, Armand,Vanelle, Patrice,Kaafarani, Mustapha,Benakli, Kamel,Crozet, Michel P.. "Synthesis and S(RN)1 reactions in 5-nitrothiazole series". . p. 5471 - 5484. Retrieved 2007/10/03.