1-Fluorocyclohexene

Base Information

• Chemical Name: 1-Fluorocyclohexene
• CAS No.: 694-51-9
• Molecular Formula: C6H9F
• Molecular Weight: 100.136
• DSSTox Substance ID: DTXSID70457840
• Nikkaji Number: J797.729H
• Wikidata: Q82280868
• Mol file: 694-51-9.mol

Synonyms:Cyclohexene, 1-fluoro-;694-51-9;1-fluorocyclohexene;fluorocyclohexene;1-fluoro-1-cyclohexene;SCHEMBL812073;DTXSID70457840

Chemical Property of 1-Fluorocyclohexene

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.068828449
• Heavy Atom Count: 7
• Complexity: 84.2

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC1)F

Technology Process of 1-Fluorocyclohexene

There total 17 articles about 1-Fluorocyclohexene 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: 96.0%

1,1-difluorocyclohexane (371-90-4) → 1-fluorocyclohexene (694-51-9)

Guidance literature:

With aluminum(III) fluoride; at 400 - 410 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.molcata.2011.01.021

Reference yield: 80.0%

cis-1-bromo-2-fluorocyclohexane → 1-fluorocyclohexene (694-51-9)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 70 ℃; for 4h; Inert atmosphere;

DOI:10.1246/bcsj.20100270

Reference yield: 65.0%

cyclohex-1-enylboronic acid (89490-05-1,21190-87-4) → 1-fluorocyclohexene (694-51-9)

Guidance literature:

cyclohex-1-enylboronic acid; With sodium hydroxide; In methanol; at 23 ℃; for 0.25h; Inert atmosphere;

With silver trifluoromethanesulfonate; In methanol; at 0 ℃; for 0.5h; Inert atmosphere;

With Selectfluor; In acetone; at 23 ℃; for 1h; stereospecific reaction; Inert atmosphere; Molecular sieve;

DOI:10.1021/ol901113t

upstream raw materials:

1,1-difluorocyclohexane

cis-1-Bromo-2-fluorocyclohexane

fluoro-1-chlorocyclohexane-Z

cyclohexanone

Downstream raw materials:

1,1,2-trifluorocyclohexane

1,1-difluorocyclohexane

fluorobenzene

cyclohexane

Refernces

• 1、 Tojo, Masahiro,Fukuoka, Shinsuke,Tsukube, Hiroshi. "Mechanistic studies on fluorobenzene synthesis from 1,1-difluorocyclohexane via pd-catalyzed dehydrofluorodehydrogenation". experimental part. p. 333 - 340. Retrieved 2011/05/05.
• 2、 Furuya, Takeru,Ritter, Toblas. "Fluorination of boronic acids mediated by silver(I) Triflate". supporting information; experimental part. p. 2860 - 2863. Retrieved 2009/12/05.