4-Phenylpentan-2-ylbenzene

Base Information

• Chemical Name: 4-Phenylpentan-2-ylbenzene
• CAS No.: 1145-23-9
• Molecular Formula: C17H20
• Molecular Weight: 224.346
• Hs Code.: 2902909090
• NSC Number: 54376
• DSSTox Substance ID: DTXSID70921399
• Nikkaji Number: J134.854J
• Mol file: 1145-23-9.mol

Synonyms:4-phenylpentan-2-ylbenzene;1145-23-9;2,4-Diphenylpentane;Pentane-2,4-diyldibenzene;NSC54376;2,4-Diphenylpentan;DTXSID70921399;HAOVWJDLQGPYLW-UHFFFAOYSA-N;NSC-54376;1,1'-(Pentane-2,4-diyl)dibenzene;F74671

Chemical Property of 4-Phenylpentan-2-ylbenzene

Chemical Property:

• Vapor Pressure: 0.00179mmHg at 25°C
• Boiling Point: 302.3°Cat760mmHg
• Flash Point: 139.8°C
• PSA: 0.00000
• Density: 0.958g/cm³
• LogP: 4.98390
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 224.156500638
• Heavy Atom Count: 17
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Phenylpentan-2-ylbenzene

There total 15 articles about 4-Phenylpentan-2-ylbenzene 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:

2,4-dichloropentane (625-67-2) + phenylmagnesium bromide (100-58-3) → (-)-(2R,4R)-2,4-diphenylpentane (41034-74-6) + meso-2,4-diphenylpentane (1145-23-9,10587-22-1,26561-36-4,41034-74-6,1145-24-0)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; iron(III) chloride; In tetrahydrofuran; at 50 ℃; for 0.333333h;

Reference yield:

1-bromo-2-phenylpropane (1459-00-3) → 2,4-diphenyl-pentane (1145-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) magnesium / diethyl ether / 1.) room temperature; reflux, 1 h, 2.) reflux, 4 h

2: 1.) p-toluenesulfonic acid, 2.) hydrogen / 2.) platinum oxide / 1.) benzene, reflux, 2.) ethanol, 2 days

With hydrogen; toluene-4-sulfonic acid; magnesium; platinum(IV) oxide; In diethyl ether;

DOI:10.1021/ja00343a039

Reference yield:

acetophenone (98-86-2) → 2,4-diphenyl-pentane (1145-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) magnesium / diethyl ether / 1.) room temperature; reflux, 1 h, 2.) reflux, 4 h

2: 1.) p-toluenesulfonic acid, 2.) hydrogen / 2.) platinum oxide / 1.) benzene, reflux, 2.) ethanol, 2 days

With hydrogen; toluene-4-sulfonic acid; magnesium; platinum(IV) oxide; In diethyl ether;

DOI:10.1021/ja00343a039

upstream raw materials:

2,4-Diphenyl-pentan-2-ol

2,4-dibromopentane

thiophenol

1-bromo-2-phenylpropane

Downstream raw materials:

4,4'-(1,3-dimethyl-propanediyl)-bis-benzenesulfonyl chloride

racemic-2,4-diphenylpentane

meso-2,4-diphenylpentane

4,4'-(1,3-dimethyl-propanediyl)-bis-benzenesulfonic acid diamide

Refernces

• 1、 Ghorai, Sujit K.,Jin, Masayoshi,Hatakeyama, Takuji,Nakamura, Masaharu. "Cross-coupling of non-activated chloroalkanes with aryl grignard reagents in the presence of iron/N-heterocyclic carbene catalysts". supporting information; experimental part. p. 1066 - 1069. Retrieved 2012/04/10.
• 2、 Yoshimatsu, Mitsuhiro,Ohara, Megumi. "A simple reduction of α-bromosulfones by cat.(PhSe)2/NaBH4". . p. 5651 - 5654. Retrieved 2007/10/03.