4-Phenyl-cycloheptene

Base Information

• Chemical Name: 4-Phenyl-cycloheptene
• CAS No.: 100650-88-2
• Molecular Formula: C13H16
• Molecular Weight: 172.27
• DSSTox Substance ID: DTXSID70536947
• Nikkaji Number: J1.866.985D
• Mol file: 100650-88-2.mol

Synonyms:4-phenyl-cycloheptene;4-phenyl-1-cycloheptene;100650-88-2;4-Phenylcyclohept-1-ene;DTXSID70536947

Chemical Property of 4-Phenyl-cycloheptene

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 172.125200510
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CCC(C1)C2=CC=CC=C2

Technology Process of 4-Phenyl-cycloheptene

There total 7 articles about 4-Phenyl-cycloheptene 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: 99.0%

iodobenzene (591-50-4) + Cycloheptene (628-92-2,45509-99-7) → 4-phenylcycloheptene (100650-88-2)

Guidance literature:

With tetrabutyl-ammonium chloride; potassium acetate; palladium diacetate; In N,N-dimethyl-formamide; at 25 ℃; for 144h;

DOI:10.1016/S0040-4039(00)99075-0

Reference yield:

iodobenzene (591-50-4) + Cycloheptene (628-92-2,45509-99-7) → 4-phenylcycloheptene (100650-88-2) + 3-phenylcycloheptene (19217-54-0) + 1-Phenylcycloheptene (25308-75-2,71340-35-7,152016-48-3)

Guidance literature:

With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane; In N,N-dimethyl-formamide; at 100 ℃; for 20h;

DOI:10.1016/S0040-4039(02)02788-0

Reference yield:

3-Phenyl-cycloheptanol (19217-56-2) → 4-phenylcycloheptene (100650-88-2)

Guidance literature:

With pyridine; trichlorophosphate;

DOI:10.1021/ja01002a020

upstream raw materials:

iodobenzene

Cycloheptene

3-Phenyl-cycloheptanol

2-Cyclohepten-1-one