1-Pentanone, 4-methyl-1,3-diphenyl-

Base Information

• Chemical Name: 1-Pentanone, 4-methyl-1,3-diphenyl-
• CAS No.: 85267-90-9
• Molecular Formula: C18H20O
• Molecular Weight: 252.356
• DSSTox Substance ID: DTXSID00441136
• Nikkaji Number: J996.766D
• Mol file: 85267-90-9.mol

Synonyms:1-Pentanone, 4-methyl-1,3-diphenyl-;85267-90-9;DTXSID00441136;1,3-Diphenyl-4-methyl-1-pentanone

Chemical Property of 1-Pentanone, 4-methyl-1,3-diphenyl-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 252.151415257
• Heavy Atom Count: 19
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 1-Pentanone, 4-methyl-1,3-diphenyl-

There total 15 articles about 1-Pentanone, 4-methyl-1,3-diphenyl- 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: 100.0%

(E)-3-phenylpropenal (14371-10-9) + phenyllithium (591-51-5) + isopropyl bromide (75-26-3) → (+/-)-4-methyl-1,3-diphenylpentan-1-one (85267-90-9)

Guidance literature:

(E)-3-phenylpropenal; phenyllithium; In tetrahydrofuran; at 20 ℃; for 7h;

isopropyl bromide; In tetrahydrofuran; Further stages.;

DOI:10.1021/jo005698d

Reference yield: 71.0%

1-styrenyloxytrimethylsilane (13735-81-4) + 2,2,6,6-tetramethyl-1-(2-methyl-1-phenylpropoxy)piperidine (1333501-16-8) → (+/-)-4-methyl-1,3-diphenylpentan-1-one (85267-90-9)

Guidance literature:

With [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; In nitromethane; at 20 ℃; for 12h; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201604619

Reference yield: 70.0%

isopropylmagnesium chloride (1068-55-9) + 1,3-diphenyl-propen-3-one (614-47-1) → (+/-)-4-methyl-1,3-diphenylpentan-1-one (85267-90-9)

Guidance literature:

With copper(l) iodide; (4-(S)-isopropyl-2-Ph-oxazoline-2'-Se)2; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at -78 ℃;

DOI:10.1016/S0040-4039(02)01713-6

upstream raw materials:

isopropylmagnesium chloride

benzalacetophenone

isopropylmagnesium bromide

1,3-diphenyl-propen-3-one