(3-Methylidenepentyl)benzene

Base Information

• Chemical Name: (3-Methylidenepentyl)benzene
• CAS No.: 90276-16-7
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID70547058
• Nikkaji Number: J2.090.352J
• Wikidata: Q82425067
• Mol file: 90276-16-7.mol

Synonyms:90276-16-7;(3-Methylidenepentyl)benzene;DTXSID70547058

Chemical Property of (3-Methylidenepentyl)benzene

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C)CCC1=CC=CC=C1

Technology Process of (3-Methylidenepentyl)benzene

There total 4 articles about (3-Methylidenepentyl)benzene 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: 87.0%

1-phenylpentan-3-one (20795-51-1) + diazomethyl-trimethyl-silane (18107-18-1) → (3-ethyl-3-butenyl)benzene (90276-16-7)

Guidance literature:

With triphenylphosphine; isopropyl alcohol; Wilkinson's catalyst; In 1,4-dioxane; at 60 ℃;

DOI:10.1021/ol049085p

Reference yield: 71.0%

1-phenylpentan-3-one (20795-51-1) + Methyltriphenylphosphonium bromide (1779-49-3) → (3-ethyl-3-butenyl)benzene (90276-16-7)

Guidance literature:

Methyltriphenylphosphonium bromide; With sodium hexamethyldisilazane; In 1,4-dioxane; at 60 ℃; for 1h;

1-phenylpentan-3-one; In 1,4-dioxane; at 60 ℃; for 2h;

DOI:10.1021/ol049085p

Reference yield:

(E,Z)-3-methyl-5-phenylpent-2-ene (33501-91-6) → (E)-(3-methylpent-2-en-1-yl)benzene (62491-62-7) + (3-ethyl-3-butenyl)benzene (90276-16-7)

Guidance literature:

With H4Ru4(CO)8<(-)-DIOP>2; at 150 ℃; for 508h; Title compound not separated from byproducts;

DOI:10.1016/S0022-328X(00)99188-5

upstream raw materials:

(E,Z)-3-methyl-5-phenylpent-2-ene

1-phenylpentan-3-one

diazomethyl-trimethyl-silane

Methyltriphenylphosphonium bromide