Benzene, (4-cyclopropylidenecyclohexyl)-

Base Information

• Chemical Name: Benzene, (4-cyclopropylidenecyclohexyl)-
• CAS No.: 147356-80-7
• Molecular Formula: C15H18
• Molecular Weight: 198.308
• DSSTox Substance ID: DTXSID50464355
• Nikkaji Number: J1.766.053E
• Wikidata: Q82289642
• Mol file: 147356-80-7.mol

Synonyms:Benzene, (4-cyclopropylidenecyclohexyl)-;147356-80-7;DTXSID50464355

Chemical Property of Benzene, (4-cyclopropylidenecyclohexyl)-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.140850574
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=C2CC2)CCC1C3=CC=CC=C3

Technology Process of Benzene, (4-cyclopropylidenecyclohexyl)-

There total 3 articles about Benzene, (4-cyclopropylidenecyclohexyl)- 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: 85.0%

1-phenyl-4-cyclohexanone (4894-75-1) + 3-bromopropyltriphenylphosphonium bromide (3607-17-8) → p-phenylcyclohexylidenecyclopropane (147356-80-7)

Guidance literature:

3-bromopropyltriphenylphosphonium bromide; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 2.5h; Inert atmosphere;

1-phenyl-4-cyclohexanone; In tetrahydrofuran; at 62 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201600380

Reference yield: 75.0%

1-phenyl-4-cyclohexanone (4894-75-1) → p-phenylcyclohexylidenecyclopropane (147356-80-7)

Guidance literature:

In toluene; at 50 ℃;

DOI:10.1016/S0040-4039(00)77460-0

Reference yield:

triphenylphosphonium cyclopropylide (14633-95-5,7666-30-0) + 1-phenyl-4-cyclohexanone (4894-75-1) → p-phenylcyclohexylidenecyclopropane (147356-80-7)

Guidance literature:

DOI:10.1002/cctc.201501309

upstream raw materials:

1-phenyl-4-cyclohexanone

triphenylphosphonium cyclopropylide

3-bromopropyltriphenylphosphonium bromide

Downstream raw materials:

C₃₆H₃₄O

C₂₈H₃₀SSe

C₂₉H₃₂S₂

C₂₇H₂₈Se₂