2-(1-Cyclohexenyl)cyclohexanone

Base Information

• Chemical Name: 2-(1-Cyclohexenyl)cyclohexanone
• CAS No.: 1502-22-3
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2914.22
• European Community (EC) Number: 216-120-3
• NSC Number: 518776
• UNII: KLP9AR22U2
• DSSTox Substance ID: DTXSID30870879
• Nikkaji Number: J7.750J
• Wikidata: Q27282321
• Mol file: 1502-22-3.mol

Synonyms:2-(1-cyclohexenyl)cyclohexanone

Chemical Property of 2-(1-Cyclohexenyl)cyclohexanone

Chemical Property:

• Appearance/Colour: Colorless or light yellow transparent liquid
• Vapor Pressure: 0.00346mmHg at 25°C
• Melting Point: -77.9°C
• Refractive Index: 1.5060
• Boiling Point: 281.9 °C at 760 mmHg
• Flash Point: 116.1 °C
• PSA: 17.07000
• Density: 1.022 g/cm³
• LogP: 3.24610
• Water Solubility.: Soluble in water. Insoluble in alcohol.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Cyclohexenyl)cyclohexanone >85.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC1)C2CCCCC2=O
• Uses: It is a perfuming agent. It is used for special solvents and as a raw material in agrochemicals and dyestuffs.

Technology Process of 2-(1-Cyclohexenyl)cyclohexanone

There total 113 articles about 2-(1-Cyclohexenyl)cyclohexanone 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: 82.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → cyclohexenone (930-68-7) + 2-(1-cyclohexenyl)cyclohexanone (1502-22-3)

Guidance literature:

ruthenium trichloride; for 48h; Heating;

DOI:10.1016/S0040-4020(98)00575-4

Reference yield: 71.0%

Octanal (124-13-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(1-cyclohexenyl)cyclohexanone (1502-22-3) + 2-hexyl-2-decanal (76261-03-5) + (E)-2-octylidenecyclohexan-1-one (72927-86-7)

Guidance literature:

With bis(cyclopentadienyl)dihydrozirconium; Product distribution; var. metal complexes and Lewis acids;

DOI:10.1021/jo00387a025

Reference yield: 62.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + triethyl phosphite (122-52-1) → 2-(1-cyclohexenyl)cyclohexanone (1502-22-3) + ethylphosphonic acid diethyl ester (78-38-6) + diethyl (1-ethoxycyclohexyl)phosphonate

Guidance literature:

triethyl phosphite; With sodium perchlorate; In acetonitrile; Electrolysis;

cyclohexanone; In acetonitrile; at 20 ℃; for 0.5h;

upstream raw materials:

piperidine

cyclohexanone

ethyl acetate

diethyl malonate

Downstream raw materials:

2-cyclohex-1-enyl-1-o-tolyl-cyclohexanol

1',2'-Epoxy-2-[2]naphthyl-bicyclohexyl-2-ol

2-cyclohex-1-enyl-1-[2]naphthyl-cyclohexanol

dibenzo[g,p]chrysene