(1-Methylcyclopentyl)benzene

Base Information

• Chemical Name: (1-Methylcyclopentyl)benzene
• CAS No.: 20049-04-1
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID20529102
• Wikidata: Q82399267
• Mol file: 20049-04-1.mol

Synonyms:(1-Methylcyclopentyl)benzene;42774-90-3;methylphenylcyclopentane;1-methyl-1-phenylcyclopentane;DTXSID20529102

Chemical Property of (1-Methylcyclopentyl)benzene

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC1)C2=CC=CC=C2

Technology Process of (1-Methylcyclopentyl)benzene

There total 19 articles about (1-Methylcyclopentyl)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: 38.0%

(6-chlorohex-1-en-2-yl)benzene (629624-19-7) + pentan-3-one (96-22-0) → (+)-(2S)-2-methyl-2-phenylcyclopentane (20049-04-1) + 3-[(1-phenylcyclopentyl)methyl]pentan-3-ol

Guidance literature:

(6-chlorohex-1-en-2-yl)benzene; With lithium; 4,4'-di-tert-butylbiphenyl; In tetrahydrofuran; at -78 ℃; for 0.5h;

pentan-3-one; In tetrahydrofuran; at -78 ℃; for 0.25h;

DOI:10.1016/j.tet.2003.09.012

Reference yield: 25.0%

(6-chlorohex-1-en-2-yl)benzene (629624-19-7) + pivalaldehyde (630-19-3) → (+)-(2S)-2-methyl-2-phenylcyclopentane (20049-04-1) + 3,3-dimethyl-1-(1-phenylcyclopentyl)butan-2-ol

Guidance literature:

(6-chlorohex-1-en-2-yl)benzene; With lithium; 4,4'-di-tert-butylbiphenyl; In tetrahydrofuran; at -78 ℃; for 0.5h;

pivalaldehyde; In tetrahydrofuran; at -78 ℃; for 0.25h;

DOI:10.1016/j.tet.2003.09.012

Reference yield:

aluminium trichloride (7446-70-0) + 1,1-dichloroethane (75-34-3) + methyl-cyclopentane (96-37-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylbenzene (100-41-4,27536-89-6) + (+)-(2S)-2-methyl-2-phenylcyclopentane (20049-04-1)

Guidance literature:

DOI:10.1021/ja01567a075

upstream raw materials:

di-tert-butyl peroxide

(1-phenyl-cyclopentyl)-acetaldehyde

1-chloro-1-methylcyclopentane

benzene

Downstream raw materials:

1-(4-(1-methylcyclopentyl)phenyl)ethan-1-one

C₂₁H₂₄⁽²⁾H₂

C₂₁H₂₄O

1-(4-[1-methylcyclopentyl]phenyl)-3-phenylpropane