2-Methyl-1-phenyloctan-1-one

Base Information

• Chemical Name: 2-Methyl-1-phenyloctan-1-one
• CAS No.: 132719-12-1
• Molecular Formula: C15H22O
• Molecular Weight: 218.339
• DSSTox Substance ID: DTXSID40514792
• Nikkaji Number: J731.289J
• Mol file: 132719-12-1.mol

Synonyms:2-methyl-1-phenyloctan-1-one;2-methyl-1-phenyl-1-octanone;132719-12-1;SCHEMBL6686403;DTXSID40514792

Chemical Property of 2-Methyl-1-phenyloctan-1-one

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 218.167065321
• Heavy Atom Count: 16
• Complexity: 192

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Methyl-1-phenyloctan-1-one

There total 10 articles about 2-Methyl-1-phenyloctan-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: 89.0%

methanol (67-56-1) + acetophenone (98-86-2) + hexan-1-ol (111-27-3) → 1-phenyl-2-methyl-1-octanone (132719-12-1)

Guidance literature:

acetophenone; hexan-1-ol; With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium hydroxide; at 80 ℃; for 2h; Inert atmosphere; Sealed tube;

methanol; at 140 ℃; for 15h; Sealed tube Inert atmosphere;

DOI:10.1039/c3cc49626k

Reference yield: 84.0%

(+)-2-methyl octanoic acid chloride (43152-88-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-phenyl-2-methyl-1-octanone (132719-12-1)

Guidance literature:

With aluminium trichloride;

DOI:10.1246/bcsj.55.2161

Reference yield: 71.0%

2-iodooctane (36049-78-2,557-36-8) + carbon monoxide (201230-82-2) + phenylboronic acid (98-80-6) → 1-phenyl-2-methyl-1-octanone (132719-12-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In water; benzene; at 20 ℃; for 16h; under 34202.3 Torr; Autoclave; Irradiation;

DOI:10.1021/ol401363t

upstream raw materials:

1-phenyl-1-trimethylsiloxypropene

hexyl triflate

(S)-(+)-2-iodooctane

Ethoxy-1-ethoxy-(phenyl)-acetonitrile

Downstream raw materials:

thiophosphoric acid S-(1-benzoyl-1-methylheptyl) ester O,O-diethyl ester

Trimethyl-((E)-2-methyl-1-phenyl-oct-1-enyloxy)-silane