1-Cyclohexenyl acetate

Base Information

• Chemical Name: 1-Cyclohexenyl acetate
• CAS No.: 1424-22-2
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• Hs Code.: 2915390090
• European Community (EC) Number: 215-838-4
• NSC Number: 18899
• UNII: FHZ4PS0MLN
• DSSTox Substance ID: DTXSID40162030
• Nikkaji Number: J145.931G
• Wikidata: Q83030544
• Mol file: 1424-22-2.mol

Synonyms:1-Cyclohexenyl acetate;1424-22-2;1-Cyclohexen-1-yl acetate;1-Acetoxycyclohexene;cyclohex-1-en-1-yl acetate;Cyclohexen-1-ol acetate;Cyclohexene-1-yl acetate;cyclohexen-1-yl acetate;1-CYCLOHEXEN-1-OL, ACETATE;1-Acetoxy-1-cyclohexene;cyclohexenyl acetate;FHZ4PS0MLN;EINECS 215-838-4;NSC 18899;NSC-18899;UNII-FHZ4PS0MLN;1-Cyclohexenyl acetic acid;SCHEMBL561717;DTXSID40162030;NSC18899;1-(ACETYLOXY)-1-CYCLOHEXENE;MFCD00013774;AKOS009158261;1-CYCLOHEXEN-1-OL, 1-ACETATE;ACETIC ACID 1-CYCLOHEXENYL ESTER;BB 0221103;CS-0249113;FT-0607670;EN300-42527;J-007648;Z426041318

Chemical Property of 1-Cyclohexenyl acetate

Chemical Property:

• Vapor Pressure: 0.152mmHg at 25°C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 214.9°Cat760mmHg
• Flash Point: 79.4°C
• PSA: 26.30000
• Density: 1g/cm³
• LogP: 2.00740
• Sensitive.: Moisture Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

1-CyclohexenylAcetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CCCCC1

Technology Process of 1-Cyclohexenyl acetate

There total 33 articles about 1-Cyclohexenyl acetate 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: 94.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + acetic anhydride (108-24-7) → 1-cyclohexenyl acetate (1424-22-2)

Guidance literature:

With Montmorillonite KSF clay; at 23 ℃; for 2h;

DOI:10.1081/SCC-120013734

Reference yield: 90.0%

Isopropenyl acetate (108-22-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-cyclohexenyl acetate (1424-22-2)

Guidance literature:

With toluene-4-sulfonic acid; at 105 ℃; for 48h;

Reference yield: 88.0%

Ketene (463-51-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-cyclohexenyl acetate (1424-22-2)

Guidance literature:

With sulfuric acid;

upstream raw materials:

Ketene

sulfoacetic acid

cyclohexanone

Isopropenyl acetate

Downstream raw materials:

cyclohexanone

diethyl 1-(diethylphosphono)ethylphosphate

(+/-)-cis-1-acetoxy-2-p-tolylsulfanyl-cyclohexane

2-butyrylcyclohexanone

Refernces

• 1、 Nakata,Tatematsu. "". . p. 211,212. Retrieved 1970.
• 2、 Jeffery,Satchell. "". . p. 3002,3005. Retrieved 1963.
• 3、 De Souza, Aline A. N.,Silva, Nathalia S.,Müller, Andressa V.,Polo, André S.,Brocksom, Timothy J.,De Oliveira, Kleber T.. "Porphyrins as Photoredox Catalysts in Csp2-H Arylations: Batch and Continuous Flow Approaches". . p. 15077 - 15086. Retrieved 2019/01/03.
• 4、 Basdevant, Benoit,Legault, Claude Y.. "Enantioselective Iodine(III)-Mediated Synthesis of α-Tosyloxy Ketones: Breaking the Selectivity Barrier". supporting information. p. 4918 - 4921. Retrieved 2015/10/12.