Benzene, 3-ethylpentyl

Base Information

• Chemical Name: Benzene, 3-ethylpentyl
• CAS No.: 1985-56-4
• Molecular Formula: C₁₃H₂₀
• Molecular Weight: 176.302
• DSSTox Substance ID: DTXSID601314200
• Nikkaji Number: J192.952F
• Mol file: 1985-56-4.mol

Synonyms:Benzene, 3-ethylpentyl;3-ethylpentylbenzene;(3-Ethylpentyl)benzene;DTXSID601314200;1985-56-4

Chemical Property of Benzene, 3-ethylpentyl

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 176.156500638
• Heavy Atom Count: 13
• Complexity: 107

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, 3-ethylpentyl

There total 4 articles about Benzene, 3-ethylpentyl 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: 72.0%

3-ethyl-1-phenylpentan-3-yl methyl oxalate → (3-ethylpentyl)benzene (1985-56-4)

Guidance literature:

With 2-(2'-pyridyl)benzimidazole; diphenylsilane; magnesium chloride; nickel dichloride; zinc; In N,N-dimethyl acetamide; at 40 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1055/a-1328-0352

Reference yield:

(3-bromo-3-ethylpentyl)benzene (1985-94-0) → (3-ethylpentyl)benzene (1985-56-4)

Guidance literature:

With magnesium; In diethyl ether;

Reference yield:

1-chloro-3-ethylpentan-3-ol (19352-13-7) → (3-ethylpentyl)benzene (1985-56-4)

Guidance literature:

Multi-step reaction with 3 steps

1: PBr₃

2: AlCl₃

3: Mg / diethyl ether

With aluminium trichloride; phosphorus tribromide; magnesium; In diethyl ether;

upstream raw materials:

(3-bromo-3-ethylpentyl)benzene

1-chloro-3-ethylpentan-3-ol

3-bromo-1-chloro-3-ethyl-pentane