2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethanone
• CAS No.: 31772-43-7
• Molecular Formula: C₈H₉ClOS
• Molecular Weight: 188.678
• Hs Code.: 2934999090
• European Community (EC) Number: 841-376-3
• DSSTox Substance ID: DTXSID80350414
• Wikidata: Q82126347
• ChEMBL ID: CHEMBL344719
• Mol file: 31772-43-7.mol

Synonyms:31772-43-7;2-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone;2-chloro-1-(2,5-dimethyl-3-thienyl)ethanone;2-chloro-1-(2,5-dimethylthien-3-yl)ethanone;2-chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one;1-(2,5-dimethyl(3-thienyl))-2-chloroethan-1-one;BDBM7862;CHEMBL344719;SCHEMBL6788403;DTXSID80350414;MFCD00224200;STK505510;AKOS000321623;Chloromethyl Thienyl Ketone deriv. 10;CS-0233345;FT-0679412;EN300-13278;J-508583;Z90122359

Chemical Property of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.00474mmHg at 25°C
• Boiling Point: 276.7°Cat760mmHg
• Flash Point: 121.1°C
• PSA: 45.31000
• Density: 1.222g/cm³
• LogP: 2.78640
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.0062638
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2-chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(S1)C)C(=O)CCl

Technology Process of 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethanone

There total 2 articles about 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethanone 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: 90.0%

2,5-DIMETHYLTHIOPHENE (638-02-8) + chloroacetyl chloride (79-04-9) → 2,5-dimethyl-3-chloroacetylthiophene (31772-43-7)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at -30 - -20 ℃;

DOI:10.1007/BF02283556

Reference yield:

→ 2,5-dimethyl-3-chloroacetylthiophene (31772-43-7)

Guidance literature:

2,5-Dimethylthiophen, Chloracetylchlorid;

Reference yield:

2,5-dimethyl-3-chloroacetylthiophene (31772-43-7) → 5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2(5H)-one

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / K₂CO₃ / dimethylformamide / 3 h / 80 °C

2: 69 percent / piperidine / ethanol / 5 h / Heating

With piperidine; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1134/S1070428006120104

upstream raw materials:

2,5-DIMETHYLTHIOPHENE

chloroacetyl chloride