2-Isopropylcyclopentanone

Base Information

• Chemical Name: 2-Isopropylcyclopentanone
• CAS No.: 14845-55-7
• Molecular Formula: C8H14 O
• Molecular Weight: 126.2
• Hs Code.: 2914299000
• European Community (EC) Number: 854-544-6
• DSSTox Substance ID: DTXSID50457500
• Nikkaji Number: J2.361.561D
• Mol file: 14845-55-7.mol

Synonyms:2-isopropylcyclopentanone;14845-55-7;2-(propan-2-yl)cyclopentan-1-one;2-propan-2-ylcyclopentan-1-one;2-Isopropyl cyclopentanone;Cyclopentanone, 2-(1-methylethyl)-;SCHEMBL2690883;DTXSID50457500;RKZBBVUTJFJAJR-UHFFFAOYSA-N;AKOS011896518;EN300-115037;F8881-2940;Z993018308

Chemical Property of 2-Isopropylcyclopentanone

Chemical Property:

• Refractive Index: 1.4438 (589.3 nm 20℃)
• Boiling Point: 175-176℃
• PSA: 17.07000
• Density: 0.9105
• LogP: 2.01160
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

2-(propan-2-yl)cyclopentan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCCC1=O

Technology Process of 2-Isopropylcyclopentanone

There total 26 articles about 2-Isopropylcyclopentanone 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: 65.0%

6-bromo-2-methyl-hex-2-ene (30316-02-0) + carbon monoxide (201230-82-2) → 2-isopropylcyclopentanone (14845-55-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 3h; under 57000 Torr;

DOI:10.1039/c39910001018

Reference yield: 50.0%

2-isopropylidenecyclopentan-1-one (2758-17-0) → (1S,1'S)-2,2'-Diisopropylidene-bicyclopentyl-1,1'-diol (117712-76-2) + 2-isopropylcyclopentanone (14845-55-7)

Guidance literature:

With magnesium; magnesium bromide; In diethyl ether; Heating;

DOI:10.1016/S0040-4039(00)82152-8

Reference yield: 31.0%

cyclopentanone (120-92-3) → trans-2-Isopropylcyclopentylamine (710272-88-1) + 2-isopropylcyclopentanone (14845-55-7)

Guidance literature:

palladium; In methanol; ethanol; acetone;

upstream raw materials:

2-chlorocyclopentanone

2-isopropylidenecyclopentan-1-one

5-Jod-2-isopropyl-pentannitril

N-cyclohexyl-N-cyclopentylidenamine

Downstream raw materials:

2-[2-Isopropyl-cyclopent-(E)-ylidene]-propionitrile

opt.-inaktives 1-Hydroxy-2-isopropyl-cyclopentan-1-carbonitril

N'-(2-isopropylcyclopentylidene)-4-methylbenzenesulfonohydrazide

2-[2-Isopropyl-cyclopent-(Z)-ylidene]-propionitrile