1-[4-(Pentan-2-yl)phenyl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(Pentan-2-yl)phenyl]ethan-1-one
• CAS No.: 7641-84-1
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.285
• NSC Number: 169243
• DSSTox Substance ID: DTXSID00305148

Synonyms:7641-84-1;NSC169243;SCHEMBL11600900;DTXSID00305148;NSC-169243;1-[4-(Pentan-2-yl)phenyl]ethan-1-one

Chemical Property of 1-[4-(Pentan-2-yl)phenyl]ethan-1-one

Chemical Property:

• Vapor Pressure: 0.00219mmHg at 25°C
• Boiling Point: 289.5°Cat760mmHg
• Flash Point: 118.8°C
• Density: 0.932g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C1=CC=C(C=C1)C(=O)C

Technology Process of 1-[4-(Pentan-2-yl)phenyl]ethan-1-one

There total 5 articles about 1-[4-(Pentan-2-yl)phenyl]ethan-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:

acetyl chloride (75-36-5) → 1-[4-((R)-1-methyl-butyl)-phenyl]-ethanone (7641-84-1)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01513a044 DOI:10.1021/ja01129a004

Reference yield:

2-phenylpentane (2719-52-0) + acetyl chloride (75-36-5) → (+/-)-1-[4-(1-methyl-butyl)-phenyl]-ethanone (7641-84-1)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01129a004 DOI:10.1021/ja01262a055

Reference yield:

acetyl chloride (75-36-5) → 1-[4-((S)-1-methyl-butyl)-phenyl]-ethanone (7641-84-1)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01513a044

upstream raw materials:

2-phenylpentane

acetyl chloride

aluminium trichloride

1-Chloropentane

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