4-(2,2-Dimethylpropyl)benzoyl chloride

Base Information

• Chemical Name: 4-(2,2-Dimethylpropyl)benzoyl chloride
• CAS No.: 96224-27-0
• Molecular Formula: C12H15ClO
• Molecular Weight: 210.704
• DSSTox Substance ID: DTXSID50568882
• Wikidata: Q82455290

Synonyms:96224-27-0;4-(2,2-Dimethylpropyl)benzoyl chloride;p-neopentylbenzoylchloride;SCHEMBL9022848;DTXSID50568882;XEGGPWMGBNKOQH-UHFFFAOYSA-N

Chemical Property of 4-(2,2-Dimethylpropyl)benzoyl chloride

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.0811428
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2,2-Dimethylpropyl)benzoyl chloride

There total 1 articles about 4-(2,2-Dimethylpropyl)benzoyl 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: 78.0%

oxalyl dichloride (79-37-8) + (2,2-dimethyl-1-propyl)benzene (1007-26-7) → 4-neopentylbenzoyl chloride (96224-27-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 40 ℃;

DOI:10.1021/jm00157a002

Reference yield: 100.0%

1-Heptylamine (111-68-2) + 4-neopentylbenzoyl chloride (96224-27-0) → 4-(2,2-Dimethyl-propyl)-N-heptyl-benzamide (96224-28-1)

Guidance literature:

With triethylamine; Ambient temperature;

DOI:10.1021/jm00157a002

Reference yield:

3,3-dimethylbutylamine (15673-00-4) + 4-neopentylbenzoyl chloride (96224-27-0) → N-(3,3-dimethylbutyl)-4-(2,2-dimethylpropyl)benzamide

Guidance literature:

With triethylamine; In dichloromethane;

upstream raw materials:

oxalyl dichloride

(2,2-dimethyl-1-propyl)benzene

Downstream raw materials:

4-(2,2-Dimethyl-propyl)-N-heptyl-benzamide

2-[4-(2,2-dimethylpropyl)phenyl]-6-methyl-4H-3,1-benzoxazin-4-one

[[4-(2,2-dimethylpropyl)phenyl]methyl]heptylamine

3 (2,4 difluorophenyl) 1 [[4 (2,2 dimethylpropyl)phenyl]methyl] 1 heptylurea

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