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

1-(2-chlorocyclohex-2-enyl)ethanone

diethyl 1-(diethylphosphono)ethylphosphate

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

Refernces

Allylic amination using well-defined [(NHC)Pd(?3-allyl)Cl] complexes and PPh₃

10.1002/ejic.200801157

Sylvain Roland, William Cotet, and Pierre Mangeney investigates the allylic amination reaction catalyzed by [(NHC)Pd(allyl)Cl] complexes, highlighting the essential role of PPh3 in activating the catalytic system. The study optimizes reaction conditions using (E)1,3-diphenylprop-3-enyl acetate and benzylamine under biphasic conditions (aqueous base/CH2Cl2), achieving a 98% yield with 1 M K2CO3. The influence of the NHC ligand and the allyl fragment on the pre-catalyst is examined, with the preparation of two new neutral [(NHC)Pd(?3-1-RC3H4)Cl] complexes showing a decrease in reaction time. Cyclohexenyl acetate, an allylic acetate with a cyclohexene ring, is one of the substrates tested in the allylic amination reaction catalyzed by the [(NHC)Pd(allyl)Cl] complexes in the presence of PPh3. The reaction conditions are optimized using other substrates, and cyclohexenyl acetate is used to evaluate the robustness and applicability of the catalytic system to different types of allylic acetates.

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