4-Chloro-2',5'-dimethylbutyrophenone

Base Information

• Chemical Name: 4-Chloro-2',5'-dimethylbutyrophenone
• CAS No.: 71526-84-6
• Molecular Formula: C12H15 Cl O
• Molecular Weight: 210.704
• European Community (EC) Number: 275-598-1
• NSC Number: 163131
• DSSTox Substance ID: DTXSID50221768
• Nikkaji Number: J289.199I
• Wikidata: Q83099730
• Mol file: 71526-84-6.mol

Synonyms:71526-84-6;4-chloro-1-(2,5-dimethylphenyl)butan-1-one;4-Chloro-2',5'-dimethylbutyrophenone;EINECS 275-598-1;4-CHLORO-1-(2,5-DIMETHYLPHENYL)-1-BUTANONE;NSC163131;DTXSID50221768;AKOS015155343;NSC 163131;NSC-163131

Chemical Property of 4-Chloro-2',5'-dimethylbutyrophenone

Chemical Property:

• Boiling Point: 325.1oC at 760 mmHg
• Flash Point: 179.8oC
• PSA: 17.07000
• Density: 1.064g/cm3
• LogP: 3.50510
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 210.0811428
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-2',5'-DIMETHYLBUTYROPHENONE 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)CCCCl

Technology Process of 4-Chloro-2',5'-dimethylbutyrophenone

There total 3 articles about 4-Chloro-2',5'-dimethylbutyrophenone 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: 85.0%

para-xylene (106-42-3) + 4-Chlorobutanoyl chloride (4635-59-0) → 2',5'-dimethyl-4-chlorobutyrophenone (71526-84-6)

Guidance literature:

aluminium trichloride; nitromethane; In carbon disulfide; for 2h; Ambient temperature;

Reference yield: 40.0%

di(p-xylyl) cadmium + 4-Chlorobutanoyl chloride (4635-59-0) → 2',5'-dimethyl-4-chlorobutyrophenone (71526-84-6)

Guidance literature:

Reference yield:

→ 2',5'-dimethyl-4-chlorobutyrophenone (71526-84-6)

Guidance literature:

p-Xylol, Cl-(CH2)3-COCl ;

upstream raw materials:

para-xylene

4-Chlorobutanoyl chloride

Downstream raw materials:

3,4,7-Trimethyl-1-indanone

5,8-dimethyltetralone

cyclopropyl(2,5-dimethylphenyl)methanone

7a-(2,5-dimethyl-phenyl)-hexahydro-pyrrolo[2,1-b]oxazole

Refernces

• 1、 Khalaf, Ali A.,Abdel-Wahab, Aboel-Magd A.,El-Khawaga, Ahmed M.,El-Zohry, Maher F.. "Modern Friedel-Crafts chemistry XIII. Intra- and intermolecular cyclization of some carbonyl derivatives under Friedel-Crafts conditions". . p. 285 - 291. Retrieved 2007/10/02.