Cyclohexanone, 2-propyl-, (2S)-

Base Information

• Chemical Name: Cyclohexanone, 2-propyl-, (2S)-
• CAS No.: 67113-13-7
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• DSSTox Substance ID: DTXSID60454904
• Nikkaji Number: J771.491B
• Wikidata: Q82276705
• Mol file: 67113-13-7.mol

Synonyms:Cyclohexanone, 2-propyl-, (2S)-;2-propyl-cyclohexanone;67113-13-7;2beta-Propylcyclohexanone;DTXSID60454904

Chemical Property of Cyclohexanone, 2-propyl-, (2S)-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1CCCCC1=O
• Isomeric SMILES: CCC[C@H]1CCCCC1=O

Technology Process of Cyclohexanone, 2-propyl-, (2S)-

There total 25 articles about Cyclohexanone, 2-propyl-, (2S)- 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:

C17H27NO2S (92207-92-6) → (+)-2-propylcyclohexanone (94-65-5,36302-45-1,64870-42-4,67113-13-7) + (-)-2-propylcyclohexanone (94-65-5,36302-45-1,64870-42-4,67113-13-7)

Guidance literature:

at 90 ℃; under 15 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)82409-1

Reference yield:

C17H27NO2S (92207-92-6) → (+)-2-propylcyclohexanone (94-65-5,36302-45-1,64870-42-4,67113-13-7) + (-)-2-propylcyclohexanone (94-65-5,36302-45-1,64870-42-4,67113-13-7)

Guidance literature:

at 90 ℃; under 15 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)82409-1

Reference yield:

((S)-2-Methoxymethyl-pyrrolidin-1-yl)-[2-propyl-cyclohex-(Z)-ylidene]-amine → (+)-2-propylcyclohexanone (94-65-5,36302-45-1,64870-42-4,67113-13-7) + (-)-2-propylcyclohexanone (94-65-5,36302-45-1,64870-42-4,67113-13-7)

Guidance literature:

With water; oxalic acid; In diethyl ether; for 14h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1055/s-1998-1765

upstream raw materials:

1-(propionyloxy)-2-propylcyclohexene

Cyclohexylidene-((S)-1-methoxymethyl-2-phenyl-ethyl)-amine

1-iodo-propane

2-propylidenecyclohexanone