3-Phenyl-1-cycloheptene

Base Information

• Chemical Name: 3-Phenyl-1-cycloheptene
• CAS No.: 19217-54-0
• Molecular Formula: C13H16
• Molecular Weight: 172.27
• European Community (EC) Number: 660-123-6
• DSSTox Substance ID: DTXSID40408324
• Nikkaji Number: J1.036.040D
• Mol file: 19217-54-0.mol

Synonyms:3-phenyl-1-cycloheptene;Cycloheptene, 3-phenyl-;3-phenyl-cycloheptene;19217-54-0;DTXSID40408324;CHEBI:188803;AKOS024324819

Chemical Property of 3-Phenyl-1-cycloheptene

Chemical Property:

• XLogP3: 4.5
• 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:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C=CC1)C2=CC=CC=C2

Technology Process of 3-Phenyl-1-cycloheptene

There total 17 articles about 3-Phenyl-1-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) → 3-phenylcycloheptene (19217-54-0)

Guidance literature:

With triphenylphosphine; silver carbonate; palladium diacetate; In acetonitrile; at 80 ℃; for 24h;

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

Reference yield: 86.0%

Cycloheptene (628-92-2,45509-99-7) + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → 3-phenylcycloheptene (19217-54-0)

Guidance literature:

With cesium fluoride; In acetonitrile; at 25 ℃; for 12h;

DOI:10.1016/j.tetlet.2013.08.049

Reference yield: 81.0%

cyclohepten-1-en-3-yl diethyl phosphate (872092-11-0) + 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7) → 3-phenylcycloheptene (19217-54-0)

Guidance literature:

With potassium tert-butylate; acetylacetone; copper(l) chloride; In water; acetonitrile; at 80 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol100841y

upstream raw materials:

benzenedizolium-2-carboxylate

Cycloheptene

1-phenylbicyclo[4.1.0]heptane

iodobenzene