4-Phenylcyclohexene

Base Information

• Chemical Name: 4-Phenylcyclohexene
• CAS No.: 4994-16-5
• Molecular Formula: C12H14
• Molecular Weight: 158.243
• Hs Code.: 2902909090
• UNII: CW63R89OW9
• DSSTox Substance ID: DTXSID9047176
• Nikkaji Number: J80.936E
• Wikidata: Q27275855
• ChEMBL ID: CHEMBL3185227
• Mol file: 4994-16-5.mol

Synonyms:4-phenylcyclohexene

Chemical Property of 4-Phenylcyclohexene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.105mmHg at 25°C
• Melting Point: -14 °C
• Refractive Index: n20/D1.539-1.545
• Boiling Point: 229.5°Cat760mmHg
• Flash Point: 86.4°C
• PSA: 0.00000
• Density: 0.965g/cm³
• LogP: 3.51030
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 158.109550447
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-?Phenyl-?1-?cyclohexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1930089
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC=C1)C2=CC=CC=C2
• Uses: 4-?Phenyl-?1-?cyclohexene is a volatile organic compound which may display the biological ability to reduce renal oxidative stress.

Technology Process of 4-Phenylcyclohexene

There total 46 articles about 4-Phenylcyclohexene 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: 95.0%

Dimethyl-phenyl-(4-phenyl-cyclohex-1-enyl)-silane → 4-phenylcyclohexene (4994-16-5)

Guidance literature:

With boron trifluoride diacetate; In dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1016/S0040-4039(97)00355-9

Reference yield: 57.0%

trans-4-phenylcyclohexanol (5437-46-7,7335-12-8,5769-13-1) → 4-phenylcyclohexene (4994-16-5) + cis-4-phenyl-1-bromocyclohexane (42367-12-4)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/ol990859p

Reference yield: 46.0%

diphenyl(trifluoromethanesulfonato)-λ3-iodane + cyclohexene (110-83-8) → 1-Phenylcyclohexene (771-98-2) + 4-phenylcyclohexene (4994-16-5) + 1,3-Diphenyl-1-cyclohexen (21025-06-9)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; copper(I) thiophene-2-carboxylate; In dichloromethane; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ja3039807

upstream raw materials:

styrene

2,3-dimethylbutene

4-phenyl-1-bromocyclohexane

buta-1,3-diene

Downstream raw materials:

N-phenyl-2-phenyl-3-[(phenylamino)methylene]-1-cyclohexene-1-methanimine hydrochloride

biphenyl

3-phenyl-adipic acid

Refernces

• 1、 Wirwis,Gil,Pernak,Trzeciak. "The effect of Al2O3 and ionic liquids in palladium catalyzed arylation of cyclohexene. Interaction of Hg(0) with immobilized palladium". . p. 188 - 195. Retrieved 2015/11/23.
• 2、 Lindner, Stephanie,Braese, Stefan. "A mild method for eliminating alkyl ethers to alkenes". . p. 29439 - 29442. Retrieved 2014/08/05.