4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride

Base Information

• Chemical Name: 4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride
• CAS No.: 54001-18-2
• Molecular Formula: C11H8ClNOS
• Molecular Weight: 237.71
• Hs Code.: 29349990
• European Community (EC) Number: 692-397-8
• DSSTox Substance ID: DTXSID90379818
• Wikidata: Q72495396
• Mol file: 54001-18-2.mol

Synonyms:54001-18-2;4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride;4-Methyl-2-phenylthiazole-5-carbonyl chloride;4-Methyl-2-phenyl-thiazole-5-carbonyl chloride;TD8059;SCHEMBL892990;5-(Chlorocarbonyl)-4-methyl-2-phenyl-1,3-thiazole;DTXSID90379818;ZQWZVEKZFVCSNY-UHFFFAOYSA-N;MFCD02677709;AKOS015842185;AS-68639;4-Methyl-2-phenylthiazole-5-carbonylchloride;FT-0619019;5-(Chloroformyl)-4-methyl-2-phenyl-1,3-thiazole;A853791;4-methyl-2-phenyl-1,3-thiazole-5-carbonyl-chloride;4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYLCHLORIDE;4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride, AldrichCPR

Chemical Property of 4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 1.01E-05mmHg at 25°C
• Melting Point: 122 °C
• Refractive Index: 1.609
• Boiling Point: 371.8 °C at 760 mmHg
• PKA: 0.62±0.10(Predicted)
• Flash Point: 178.6 °C
• PSA: 58.20000
• Density: 1.319 g/cm³
• LogP: 3.49750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.0015127
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

4-Methyl-2-phenyl-1,3-thiazole-5-carbonylchloride 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)Cl

Technology Process of 4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride

There total 4 articles about 4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride 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:

4-methyl-2-(phenyl)-1,3-thiazol-5-carboxylic acid (33763-20-1) → 4-methyl-2-phenyl-thiazole-5-carbonyl chloride (54001-18-2)

Guidance literature:

With thionyl chloride; Heating;

Reference yield:

4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester (53715-64-3) → 4-methyl-2-phenyl-thiazole-5-carbonyl chloride (54001-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / NaOH / ethanol; H₂O / 1.5 h / 85 °C

2: SOCl₂ / 3 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol; water;

DOI:10.1021/jm058056x

Reference yield:

benzenecarbothioamide (2227-79-4) → 4-methyl-2-phenyl-thiazole-5-carbonyl chloride (54001-18-2)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 24 h / Heating

2: 93 percent / NaOH / ethanol; H₂O / 1.5 h / 85 °C

3: SOCl₂ / 3 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol; water;

DOI:10.1021/jm058056x

upstream raw materials:

4-methyl-2-(phenyl)-1,3-thiazol-5-carboxylic acid

4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester

benzenecarbothioamide

Downstream raw materials:

(4-methoxy-phenyl)-(4-methyl-2-phenyl-thiazol-5-yl)-methanone

C₃₃H₂₉ClFN₃O₃S₃

4-methyl-2-(phenyl)-1,3-thiazol-5-carboxylic acid

C₁₁H₉NOS₂

Refernces

• 1、 -. "4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzoazepine derivatives and drug compositions containing them". Page column 16. . Retrieved 2010/01/30.