3-Acetoxycyclohexene

Base Information

• Chemical Name: 3-Acetoxycyclohexene
• CAS No.: 14447-34-8
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.182
• DSSTox Substance ID: DTXSID70455669
• Nikkaji Number: J275.682J
• Mol file: 14447-34-8.mol

Synonyms:2-Cyclohexenyl acetate;3-ACETOXYCYCLOHEXENE;14447-34-8;cyclohex-2-en-1-yl acetate;Cyclohex-2-enyl acetate;1-cyclohex-2-enyl Acetate;1-acetyloxy-2-cyclohexene;2-cyclohexen-1-yl acetate;SCHEMBL1571430;DTXSID70455669;MQNAWGURFBPDMW-UHFFFAOYSA-N;AMY31970;MFCD00154480;SY294766;BB 0263078

Chemical Property of 3-Acetoxycyclohexene

Chemical Property:

• Boiling Point: 174.565 °C at 760 mmHg
• Flash Point: 49.257 °C
• PSA: 26.30000
• Density: 1.004 g/cm³
• LogP: 1.65820
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCCC=C1

Technology Process of 3-Acetoxycyclohexene

There total 122 articles about 3-Acetoxycyclohexene 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: 67.0%

cobalt(III) acetate + cyclohexene (110-83-8) → rac-3-acetoxycyclohexene (76644-52-5,76704-31-9,14447-34-8,62247-41-0) + cobalt(II) acetate (71-48-7,917-69-1,5931-89-5,55881-15-7,68931-68-0,68931-69-1,93029-27-7)

Guidance literature:

With potassium bromide; In acetic acid; at 80 ℃; for 1h;

Reference yield: 50.6%

cyclohexene (110-83-8) → 1,2-Cyclohexanediol (931-17-9) + rac-3-acetoxycyclohexene (76644-52-5,76704-31-9,14447-34-8,62247-41-0) + 1,2-diacetoxy-cyclohexane (2276-46-2)

Guidance literature:

With hexaaquairon(II) perchlorate; dihydrogen peroxide; acetic anhydride; In acetonitrile; at 30 ℃; for 0.0833333h;

Reference yield: 50.6%

acetic anhydride (108-24-7) + cyclohexene (110-83-8) → 1,2-Cyclohexanediol (931-17-9) + rac-3-acetoxycyclohexene (76644-52-5,76704-31-9,14447-34-8,62247-41-0) + 1,2-diacetoxy-cyclohexane (2276-46-2)

Guidance literature:

With hexaaquairon(II) perchlorate; dihydrogen peroxide; In acetonitrile; at 30 ℃; for 0.0833333h;

upstream raw materials:

3-chloro-cyclohexene

potassium acetate

sodium acetate

1,2-dibromocyclohexane

Downstream raw materials:

Cyclohex-2-enol

4-(acetoxy)cyclohex-2-en-1-yl acetate

cyclohexyl acetate

4-(acetoxy)cyclohex-2-enone