Vinylcyclohexene

Base Information

• Chemical Name: Vinylcyclohexene
• CAS No.: 2622-21-1
• Molecular Formula: C8H12
• Molecular Weight: 108.183
• Hs Code.: 2902199090
• European Community (EC) Number: 220-070-8
• DSSTox Substance ID: DTXSID6051934
• Nikkaji Number: J192.129K
• Wikidata: Q81984873
• Mol file: 2622-21-1.mol

Synonyms:Vinylcyclohexene;1-Vinylcyclohexene;1-ETHENYLCYCLOHEXENE;Cyclohexene, 1-ethenyl-;Cyclohexene, ethenyl-;1-Vinyl-1-cyclohexene;Cyclohexene, 1-vinyl-;2-Vinylcyclohexene;2622-21-1;HSDB 5888;1-vinyl-cyclohexene;25168-07-4;EINECS 220-070-8;BRN 1236528;vinyl cyclohexene;1-vinylcyclohex-1-ene;1-ethenylcyclohex-1-ene;DTXSID6051934;AKOS006283559;LS-57552

Chemical Property of Vinylcyclohexene

Chemical Property:

• Refractive Index: 1.4915
• Boiling Point: 145°Cat760mmHg
• Flash Point: 22.7°C
• PSA: 0.00000
• Density: 0.912g/cm³
• LogP: 2.67280
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 108.093900383
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C=CC1=CCCCC1
• Uses: Vinylcyclohex-1-ene is a common component of tobacco smoke thought to be formed by dimerization from butadiene (119). It serves as an important chemical intermediate.

Technology Process of Vinylcyclohexene

There total 46 articles about Vinylcyclohexene 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: 97.0%

1-ethenylcyclohexene (931-49-7) → 1-vinylcyclohexene (2622-21-1) + 1-ethylcyclohexene (1453-24-3)

Guidance literature:

With hydrogen; In hexane; at 40 ℃; for 9h; under 760.051 Torr;

DOI:10.1002/anie.201207845

Reference yield: 86.0%

[(ethoxycarbonyl)oxymethyl]-methylene-cyclohexane → 1-vinylcyclohexene (2622-21-1)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; ethyl 3,3,3-trifluoropropanoate; ethyl-diphenyl-phosphane; In tetrahydrofuran; at 60 ℃; for 3h;

DOI:10.1021/jo990463r

Reference yield: 84.0%

Selenophosphoric acid Se-(2-cyclohex-1-enyl-2-oxo-ethyl) ester O,O'-diethyl ester (226921-20-6) → 1-vinylcyclohexene (2622-21-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; diethyl ether; at 10 - 20 ℃; for 2h;

DOI:10.1016/S0040-4039(99)00528-6

upstream raw materials:

phthalic anhydride

1-vinylcyclohexanol

1-ethenylcyclohexene

vinylidenecyclohexane

Downstream raw materials:

1-ethylcyclohexene

5-cyclohex-1-enyl-1,2,3,4,4a,5,6,7-octahydro-naphthalene

(+/-)(4ar,4bc,10ac)-4a,4b,5,6,7,8,10,10a-octahydro-phenanthrene-1,4-dione

2-Ethylencyclohex-2-enyl-ethanoat