1-Cyclohexylheptan-1-one

Base Information

• Chemical Name: 1-Cyclohexylheptan-1-one
• CAS No.: 6064-43-3
• Molecular Formula: C10H13N3O2
• Molecular Weight: 196.333
• Nikkaji Number: J3.452.331B
• Mol file: 6064-43-3.mol

Synonyms:SCHEMBL2125317;AKOS011912873

Chemical Property of 1-Cyclohexylheptan-1-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.284g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(=O)C1CCCCC1

Technology Process of 1-Cyclohexylheptan-1-one

There total 17 articles about 1-Cyclohexylheptan-1-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: 99.0%

Heptanophenone (1671-75-6) → 1-cyclohexylheptan-1-one (6064-43-3)

Guidance literature:

With C₃₃H₄₉ClNRh; hydrogen; In 2,2,2-trifluoroethanol; at 20 ℃; for 24h; under 3750.38 Torr; Autoclave; Molecular sieve;

DOI:10.1021/jacs.5b05868

Reference yield: 83.0%

2'-hexyl-2'-phenylsulfinylspiro (95110-74-0) → 1-cyclohexylheptan-1-one (6064-43-3)

Guidance literature:

With sodium phenylselenide; In ethanol; at 70 ℃; for 2h;

DOI:10.1246/cl.1984.1957

Reference yield:

Heptanoic acid chloride (2528-61-2) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexylheptan-1-one (6064-43-3)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01638a039

upstream raw materials:

1-cyclohexylheptan-1-ol

Heptanoic acid chloride

cyclohexylmagnesium bromide

cyclohexanylcarbonyl chloride

Downstream raw materials:

Phosphoric acid (E)-2-benzenesulfonyl-1-cyclohexyl-hept-1-enyl ester diethyl ester

2-Benzenesulfonyl-1-cyclohexyl-heptan-1-one

n-pentylcyclohexylacetylene

1-Cyclohexyl-2-phenylsulfanyl-heptan-1-one

Refernces

• 1、 Satoh, Tsuyoshi,Kaneko, Youhei,Izawa, Takao,Sakata, Kiichi,Yamakawa, Koji. "α,β-Epoxy Sulfoxides as Useful Intermediates in Organic Synthesis. I. A Novel Synthesis of Dialkyl Ketones and a Synthesis of Aldehydes from Ketones by One Carbon Elongation". . p. 1983 - 1990. Retrieved 2007/10/02.
• 2、 Ncube, Smollie,Pelter, Andrew,Smith, Keith. "Reactions of organoboranes and 2-lithio-2-alkyl-1,3-benzodithioles. A new, improved synthesis of ketones". . p. 1893 - 1894. Retrieved 2007/10/09.