2-Chloro-1-(2,4,6-trimethyl-phenyl)-ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,4,6-trimethyl-phenyl)-ethanone
• CAS No.: 50690-12-5
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• Hs Code.: 2914700090
• NSC Number: 78971
• DSSTox Substance ID: DTXSID40291899
• Nikkaji Number: J2.647.965G
• Wikidata: Q82029990
• Mol file: 50690-12-5.mol

Synonyms:50690-12-5;2-Chloro-1-(2,4,6-trimethyl-phenyl)-ethanone;2-chloro-1-(2,4,6-trimethylphenyl)ethanone;2-chloro-1-mesitylethanone;2-chloro-1-(2,4,6-trimethylphenyl)ethan-1-one;MFCD00507868;Ethanone, 2-chloro-1-(2,4,6-trimethylphenyl)-;NSC78971;Alpha-chloroaceto-mesitylene;NCIOpen2_000677;SCHEMBL9064055;DTXSID40291899;NSC 78971;NSC-78971;AKOS000116677;2-Chloro-1-mesitylethanone, AldrichCPR;NS-01965;CS-0307572;alpha-Chloro-2',4',6'-trimethylacetophenone;EN300-02071;Z57986547;2-Chloro-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-trimethylacetophenone

Chemical Property of 2-Chloro-1-(2,4,6-trimethyl-phenyl)-ethanone

Chemical Property:

• Vapor Pressure: 0.00181mmHg at 25°C
• Melting Point: 62-63 °C
• Boiling Point: 292.7°C at 760 mmHg
• Flash Point: 157.8°C
• PSA: 17.07000
• Density: 1.085g/cm³
• LogP: 3.03330
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-chloro-1-(2,4,6-trimethylphenyl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)CCl)C

Technology Process of 2-Chloro-1-(2,4,6-trimethyl-phenyl)-ethanone

There total 8 articles about 2-Chloro-1-(2,4,6-trimethyl-phenyl)-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: 70.0%

chloroacetic acid (79-11-8) + 1,3,5-trimethyl-benzene (108-67-8) → 2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone (50690-12-5)

Guidance literature:

With P₂O₅/silica gel; for 1h; Reflux;

DOI:10.1016/j.tetlet.2008.09.062

Reference yield: 62.0%

chloroacetyl chloride (79-04-9) + 1,3,5-trimethyl-benzene (108-67-8) → 2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone (50690-12-5)

Guidance literature:

bismuth(III) chloride; at 120 ℃; for 15h;

DOI:10.1002/adsc.200606157

Reference yield: 5.8%

chloroacetic acid (79-11-8) + 1,3,5-trimethyl-benzene (108-67-8) → 1,1,1-trifluoro-2-chloroethane (75-88-7) + 2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone (50690-12-5) + 2-chloro-1,1-difluoroethylmesitylene

Guidance literature:

With sulfur tetrafluoride; at 50 - 60 ℃; for 3h;

DOI:10.1016/S0022-1139(00)81447-5

upstream raw materials:

2,4,6-Trimethylacetophenone

chloroacetic acid

1,3,5-trimethyl-benzene

chloroacetyl chloride

Downstream raw materials:

benzofuran-2-yl-mesityl ketone

4-(2,4,6-trimethylphenyl)thiazol-2-ylamine

2-benzothiazol-2-ylsulfanyl-1-(2,4,6-trimethyl-phenyl)-ethanone

5,7-dimethylindan-1-one