2-Octylcyclopentanone

Base Information

• Chemical Name: 2-Octylcyclopentanone
• CAS No.: 40566-23-2
• Molecular Formula: C13H24O
• Molecular Weight: 196.333
• Hs Code.: 2914299000
• European Community (EC) Number: 824-343-8
• DSSTox Substance ID: DTXSID80339784
• Nikkaji Number: J117.532G
• Mol file: 40566-23-2.mol

Synonyms:2-Octylcyclopentan-1-one;2-Octylcyclopentanone;40566-23-2;Cyclopentanone, 2-octyl-;a-octylcyclopentanone;SCHEMBL486901;DTXSID80339784;AKOS003238660;AKOS017418748;CS-0236640;EN300-1721135;Z813018306

Chemical Property of 2-Octylcyclopentanone

Chemical Property:

• PSA: 17.07000
• LogP: 4.10620
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

99%min ^*data from raw suppliers

2-Octylcyclopentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1CCCC1=O

Technology Process of 2-Octylcyclopentanone

There total 16 articles about 2-Octylcyclopentanone 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: 66.0%

oct-1-ene (111-66-0,25068-25-1) + cobalt(II) acetate (71-48-7,917-69-1,5931-89-5,55881-15-7,68931-68-0,68931-69-1,93029-27-7) + manganese(II) acetate (638-38-0,993-02-2,2180-18-9,15411-95-7,22981-23-3,27004-39-3) + cyclopentanone (120-92-3) → 2-octyl-cyclopentanone (40566-23-2)

Guidance literature:

With acetic acid;

Reference yield: 66.0%

oct-1-ene (111-66-0,25068-25-1) + cyclopentanone (120-92-3) → 2-octyl-cyclopentanone (40566-23-2)

Guidance literature:

With nitrogen; oxygen; acetic acid; cobalt(II) acetate; manganese(II) acetate; at 80 ℃; for 10h; under 757.576 Torr; Conversion of starting material;

Reference yield:

di(2-ethylhexyl)adipate (103-23-1) → 2-octyl-cyclopentanone (40566-23-2) + C15H26O3 + Oxalic acid, cyclohexylmethyl octyl ester + C18H32O5 + 5-Methyl-4-methylene-hexahydro-pentalen-1-one (120587-85-1) + 2-cyclopentylidenecyclopentan-1-one (825-25-2)

Guidance literature:

at 300 ℃; for 2h; Temperature; Pyrolysis; Autoclave;

DOI:10.1134/S0965544118030179

upstream raw materials:

2-octyl-adipic acid

2-Octyliden-cyclopentanon

oct-1-ene

cyclopentanone

Downstream raw materials:

δ-tridecalactone

Refernces

• 1、 Xing, Dong,Dong, Guangbin,Qi, Xiaotian,Marchant, Daniel,Liu, Peng. "Branched-Selective Direct α-Alkylation of Cyclic Ketones with Simple Alkenes". supporting information. p. 4366 - 4370. Retrieved 2019/05/30.
• 2、 -. "PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE". Example 7. . Retrieved 2010/01/31.