1-Cyclohexylidenepropan-2-one

Base Information

• Chemical Name: 1-Cyclohexylidenepropan-2-one
• CAS No.: 874-68-0
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID00236327
• Nikkaji Number: J119.564F
• Mol file: 874-68-0.mol

Synonyms:1-cyclohexylidenepropan-2-one;874-68-0;Cyclohexylideneacetone;2-Propanone, 1-cyclohexylidene-;AI3-26201;Cyclohexylidenaceton;1-Cyclohexylideneacetone #;ghl.PD_Mitscher_leg0.700;1-Cyclohexylidene-2-propanone;1-cyclohexylidene-propan-2-one;SCHEMBL9690024;DTXSID00236327;KVSOBMXTKPYCSG-UHFFFAOYSA-N;MFCD00462181;AKOS006271667;AS-59954;CS-0047179;EN300-128371;W15953

Chemical Property of 1-Cyclohexylidenepropan-2-one

Chemical Property:

• Vapor Pressure: 0.0787mmHg at 25°C
• Boiling Point: 227.2°C at 760 mmHg
• Flash Point: 88.8°C
• PSA: 17.07000
• Density: 1.006g/cm³
• LogP: 2.46590
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

1-cyclohexylidenepropan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=C1CCCCC1

Technology Process of 1-Cyclohexylidenepropan-2-one

There total 36 articles about 1-Cyclohexylidenepropan-2-one 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: 95.0%

dimethyl (2-oxopropyl)phosphonate (4202-14-6) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-cyclohexylidene-2-propanone (874-68-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 20 ℃; for 28h;

DOI:10.1021/jo025843i

Reference yield: 91.0%

1-cyclohexylpropyne (18736-95-3) → 1-cyclohexylidene-2-propanone (874-68-0)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold bis(trifluoromethanesulfonyl)imidate; 8-isopropyl-quinoline-N-oxide; In tetrahydrofuran; at 0 ℃; for 3h; regioselective reaction;

DOI:10.1021/ja1072614

Reference yield: 88.0%

C15H25BO2 → 1-cyclohexylidene-2-propanone (874-68-0)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201306843

upstream raw materials:

propan-1-ol

1-cyclohexenylacetone

sodium n-propoxide

sodium ethanolate

Downstream raw materials:

1-cyclohexenylacetone

2-Benzylimino-4-methyl-1,3-diazaspiro<5.5>undeca-4-en

1-(2-Oxo-propyl)-cyclohexanecarbonitrile

1-Bromo-3-cyclohexylidene-propan-2-one