2-Chloro-1-(2,5-dimethylphenyl)propan-1-one

Base Information

• Chemical Name: 2-Chloro-1-(2,5-dimethylphenyl)propan-1-one
• CAS No.: 88632-72-8
• Molecular Formula: C11H13 Cl O
• Molecular Weight: 196.677
• DSSTox Substance ID: DTXSID80395981
• Mol file: 88632-72-8.mol

Synonyms:2-chloro-1-(2,5-dimethylphenyl)propan-1-one;88632-72-8;1-Propanone,2-chloro-1-(2,5-dimethylphenyl)-;2-Chloro-1-(2,5-dimethyl-phenyl)-propan-1-one;SCHEMBL9722670;DTXSID80395981;WJDFCWSMCKCWEU-UHFFFAOYSA-N;2-Chloro-2',5'-dimethylpropiophenone;AKOS000200475;AKOS016880843;2-(2-chloropropionyl)-1,4-dimethylbenzene;CS-0220036;EN300-05603;Z56921823

Chemical Property of 2-Chloro-1-(2,5-dimethylphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00287mmHg at 25°C
• Boiling Point: 285.1°C at 760 mmHg
• Flash Point: 154.8°C
• Density: 1.081g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-1-(2,5-DIMETHYL-PHENYL)-PROPAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-1-(2,5-dimethylphenyl)propan-1-one

There total 1 articles about 2-Chloro-1-(2,5-dimethylphenyl)propan-1-one 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: 72.0%

2-chloropropionyl chloride (7623-09-8) + para-xylene (106-42-3) → 2,5-dimethyl-α-chloropropiophenone (88632-72-8)

Guidance literature:

With aluminium trichloride; at 0 - 20 ℃;

DOI:10.1021/jo00350a036

Reference yield: 81.0%

2,5-dimethyl-α-chloropropiophenone (88632-72-8) → 1-(2,5-dimethylphenyl)propan-1-one (35031-52-8) + 2,6-dimethylindan-1-one (66309-83-9)

Guidance literature:

In tert-butyl alcohol; for 16h; Quantum yield; Irradiation; other solvent;

DOI:10.1021/jo00350a036

Reference yield: 42.0%

2,5-dimethyl-α-chloropropiophenone (88632-72-8) → 1-(2,5-dimethylphenyl)propan-1-one (35031-52-8) + 2,6-dimethylindan-1-one (66309-83-9) + 2-(2,5-Dimethyl-phenyl)-propionic acid methyl ester (99356-70-4) + 1-(2-Methoxymethyl-5-methyl-phenyl)-propan-1-one (99356-69-1)

Guidance literature:

In methanol; for 16h; Irradiation;

DOI:10.1021/jo00350a036

upstream raw materials:

2-chloropropionyl chloride

para-xylene

Downstream raw materials:

1-(2,5-dimethylphenyl)propan-1-one

2,6-dimethylindan-1-one

2-(2,5-Dimethyl-phenyl)-propionic acid methyl ester

1-(2-Methoxymethyl-5-methyl-phenyl)-propan-1-one