1-(4-Chlorophenyl)octan-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)octan-1-one
• CAS No.: 7295-52-5
• Molecular Formula: C14H19ClO
• Molecular Weight: 238.757
• DSSTox Substance ID: DTXSID10576428
• Nikkaji Number: J815.072I
• Wikidata: Q82466120
• Mol file: 7295-52-5.mol

Synonyms:7295-52-5;1-(4-CHLOROPHENYL)OCTAN-1-ONE;1-(4-chloro-phenyl)-octan-1-one;1-Octanone, 1-(4-chlorophenyl)-;starbld0035673;DTXSID10576428;MFCD11210597

Chemical Property of 1-(4-Chlorophenyl)octan-1-one

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 238.1124429
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)octan-1-one

There total 9 articles about 1-(4-Chlorophenyl)octan-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: 91.0%

1-(p-chlorophenyl)ethyl alcohol (3391-10-4) + hexan-1-ol (111-27-3) → 1-(4-chlorophenyl)-5,5-dimethylhexan-1-one (7295-52-5)

Guidance literature:

With C₄₂H₃₆ClIrO₂P₂; potassium hydroxide; In para-xylene; at 130 ℃; for 12h; Inert atmosphere; Schlenk technique; Molecular sieve;

DOI:10.1002/adsc.201300656

Reference yield: 83.0%

1-Iodoheptane (4282-40-0) + 4-Chlorophenylboronic acid (1679-18-1) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → 1-(4-chlorophenyl)-5,5-dimethylhexan-1-one (7295-52-5)

Guidance literature:

1-Iodoheptane; 4-Chlorophenylboronic acid; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; benzene; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

molybdenum hexacarbonyl; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 70 ℃; Inert atmosphere;

DOI:10.1039/c7cc02763j

Reference yield: 82.0%

1-(4-chlorophenyl)octan-1-ol → 1-(4-chlorophenyl)-5,5-dimethylhexan-1-one (7295-52-5)

Guidance literature:

With chromium(VI) oxide; tert.-butylhydroperoxide; In dichloromethane; for 17h; Ambient temperature;

DOI:10.1055/s-1993-25941

upstream raw materials:

chlorobenzene

n-octanoic acid chloride

4-Cyanochlorobenzene

n-heptylmagnesium bromide

Downstream raw materials:

4'-aminooctanoylphenone

4-octylaniline

1.1-Dichlor-1-<4-chlor-phenyl>-octan