1-Hexanone, 1,3-diphenyl-

Base Information

• Chemical Name: 1-Hexanone, 1,3-diphenyl-
• CAS No.: 1454-59-7
• Molecular Formula: C18H20O
• Molecular Weight: 252.356
• DSSTox Substance ID: DTXSID90444095
• Nikkaji Number: J996.765F
• Mol file: 1454-59-7.mol

Synonyms:1-Hexanone, 1,3-diphenyl-;1,3-Diphenylhexanal;1454-59-7;SCHEMBL12001995;DTXSID90444095

Chemical Property of 1-Hexanone, 1,3-diphenyl-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 252.151415257
• Heavy Atom Count: 19
• Complexity: 259

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Hexanone, 1,3-diphenyl-

There total 10 articles about 1-Hexanone, 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: 75.0%

1-phenyl-2-hexen-1-one (42925-43-9) + triallyl(phenyl)silane (2633-57-0) → 1,3-diphenyl-1-hexanone (1454-59-7)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; tetrabutyl ammonium fluoride; In 1,4-dioxane; water; at 50 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.03.002

Reference yield: 57.0%

4-Nitro-1,3-diphenyl-1-hexanone (80460-05-5) → 1,3-diphenyl-1-hexanone (1454-59-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; at 110 ℃; for 0.416667h;

DOI:10.1021/jo00220a003

Reference yield: 52.0%

(E)-1-phenylhex-2-en-1-one (42925-43-9,56438-82-5,56438-81-4) + triethoxyphenylsilane (780-69-8) → 1,3-diphenyl-1-hexanone (1454-59-7)

Guidance literature:

With tetrabutyl ammonium fluoride; antimony(III) chloride; acetic acid; palladium diacetate; In acetonitrile; at 60 ℃; for 24h;

DOI:10.1021/jo034763r

upstream raw materials:

4-Nitro-1,3-diphenyl-1-hexanone

propyl bromide

1,3-diphenyl-propen-3-one

n-propylmagnesium bromide

Refernces

• 1、 Kamei, Toshiyuki,Uryu, Mizuho,Shimada, Toyoshi. "Rh-catalyzed 1,4-addition of triallyl(aryl)silanes to α,β-unsaturated carbonyl compounds". supporting information. p. 1622 - 1624. Retrieved 2018/03/22.
• 2、 Nudelman, Norma Sbarbati,Garcia, Graciela V.,Schulz, Hernan G.. "Convenient Synthesis of β-Alkyl-Substituted Dihydrochalcones". . p. 5730 - 5731. Retrieved 2007/10/03.