Diallylphenylmethane

Base Information

• Chemical Name: Diallylphenylmethane
• CAS No.: 13064-21-6
• Molecular Formula: C13H16
• Molecular Weight: 172.27
• DSSTox Substance ID: DTXSID30926845
• Nikkaji Number: J1.256.750B
• Wikidata: Q82901457
• Mol file: 13064-21-6.mol

Synonyms:Diallylphenylmethane;alpha,alpha-Diallyltoluene;1,6-HEPTADIENE, 4-PHENYL-;4-Phenyl-1,6-heptadiene;13064-21-6;(hepta-1,6-dien-4-yl)benzene;DTXSID30926845;LS-74199

Chemical Property of Diallylphenylmethane

Chemical Property:

• Vapor Pressure: 0.0991mmHg at 25°C
• Boiling Point: 230.6°Cat760mmHg
• Flash Point: 87.2°C
• Density: 0.88g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 172.125200510
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diallylphenylmethane

There total 15 articles about Diallylphenylmethane 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%

C24H23NO3S + allyl-trimethyl-silane (762-72-1) → 3-phenyl-1-p-toluenesulfonyl-1,2,5-trihydropyrrole (877614-77-2) + hepta-1,6-dien-4-ylbenzene (13064-21-6)

Guidance literature:

With iron(III) chloride; In 1,2-dichloro-ethane; at 0 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201604349

Reference yield: 77.0%

allyltributylstanane (24850-33-7) + (1-bromobut-3-en-1-yl)benzene (134619-69-5) → hepta-1,6-dien-4-ylbenzene (13064-21-6)

Guidance literature:

With chloro(dimethylsulfide) gold(I); In neat (no solvent); at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.201902352

Reference yield: 76.0%

1-phenylbut-3-enyl acetate (132587-07-6,132587-15-6,2833-34-3) + allyl-trimethyl-silane (762-72-1) → hepta-1,6-dien-4-ylbenzene (13064-21-6)

Guidance literature:

With iodine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1246/cl.2007.1500

upstream raw materials:

allyl(chloromethyl)dimethylsilane

benzaldehyde

allyl-trimethyl-silane

4-trimethylsiloxy-4-phenyl-1-butene

Downstream raw materials:

4-phenylcyclopentene

3-phenylpentanedial

C₁₉H₁₈ClN₃O₂S₂

C₂₁H₁₉F₃N₄O₂S