2-Cyclohexene-1-ethanol

Base Information

• Chemical Name: 2-Cyclohexene-1-ethanol
• CAS No.: 16452-34-9
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• DSSTox Substance ID: DTXSID10455663
• Nikkaji Number: J844.248G
• Wikidata: Q82277767
• Metabolomics Workbench ID: 94860
• Mol file: 16452-34-9.mol

Synonyms:2-Cyclohexene-1-ethanol;16452-34-9;2-(2-cyclohexen-1-yl)ethanol;2-cyclohexenylethanol;SCHEMBL21980551;2-(1-cyclohex-2-enyl)-ethanol;DTXSID10455663;2-(cyclohex-2-en-1-yl)ethan-1-ol;AKOS006314398;AM86042;2-(CYCLOHEX-2-EN-1-YL)ETHANOL

Chemical Property of 2-Cyclohexene-1-ethanol

Chemical Property:

• PSA: 20.23000
• LogP: 1.72510
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 96.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)CCO

Technology Process of 2-Cyclohexene-1-ethanol

There total 21 articles about 2-Cyclohexene-1-ethanol 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: 90.0%

2-(cyclohex-2-enyl)acetic acid (3675-31-8) → 2-(cyclohex-2-enyl)ethanol (16452-34-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 23 ℃;

DOI:10.1021/ja055534k

Reference yield: 86.0%

C13H26OSi (1091604-72-6) → 2-(cyclohex-2-enyl)ethanol (16452-34-9)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl ammonium fluoride;

DOI:10.1021/ja806440m

Reference yield: 85.0%

ethyl (cyclohexen-3-yl)acetate (21331-58-8) → 2-(cyclohex-2-enyl)ethanol (16452-34-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.5h;

upstream raw materials:

oxirane

cyclohexene

ethyl (cyclohexen-3-yl)acetate

formaldehyd

Downstream raw materials:

3-(2-bromoethyl)cyclohex-1-ene

2-(2-cyclohexenyl)ethyl methanesulfonate

2-(Δ²-Cyclohexenyl)-ethyl-p-brom-benzolsulfonat

2-cyclohexenylacetaldehyde

Refernces

• 1、 Hu, Yang,Lang, Kai,Li, Chaoqun,Gill, Joseph B.,Kim, Isaac,Lu, Hongjian,Fields, Kimberly B.,Marshall, McKenzie,Cheng, Qigan,Cui, Xin,Wojtas, Lukasz,Zhang, X. Peter. "Enantioselective Radical Construction of 5-Membered Cyclic Sulfonamides by Metalloradical C-H Amination". supporting information. p. 18160 - 18169. Retrieved 2019/11/19.
• 2、 Hazelden, Ian R.,Ma, Xiaofeng,Langer, Thomas,Bower, John F.. "Diverse N-Heterocyclic Ring Systems via Aza-Heck Cyclizations of N-(Pentafluorobenzoyloxy)sulfonamides". supporting information. p. 11198 - 11202. Retrieved 2016/10/13.