Cyclopentanone, 3-ethyl-, (3R)-

Base Information

• Chemical Name: Cyclopentanone, 3-ethyl-, (3R)-
• CAS No.: 86505-42-2
• Molecular Formula: C₇H₁₂O
• Molecular Weight: 112.172
• DSSTox Substance ID: DTXSID90428799
• Nikkaji Number: J1.059.421I
• Wikidata: Q82241631
• Mol file: 86505-42-2.mol

Synonyms:Cyclopentanone, 3-ethyl-, (3R)-;86505-42-2;(R)-3-ethylcyclopentanone;SCHEMBL6438413;DTXSID90428799

Chemical Property of Cyclopentanone, 3-ethyl-, (3R)-

Chemical Property:

• PSA: 17.07000
• LogP: 1.76560
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC(=O)C1
• Isomeric SMILES: CC[C@@H]1CCC(=O)C1

Technology Process of Cyclopentanone, 3-ethyl-, (3R)-

There total 57 articles about Cyclopentanone, 3-ethyl-, (3R)- 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%

cyclopent-2-enone (930-30-3) + diethylzinc (557-20-0) → 3-ethylcyclopentanone (86505-42-2,86505-49-9,10264-55-8)

Guidance literature:

With 1-[3-((S)-1-hydroxy-3,3-dimethyl-2-butanylamino)-3-oxopropyl]-3-benzylbenzimidazolium iodide; copper(II) bis(trifluoromethanesulfonate); In tetrahydrofuran; hexane; at 20 ℃; for 3h;

DOI:10.1021/jo300472r

Reference yield: 96.0%

5-ethylfurfural (23074-10-4) → 3-ethylcyclopentanone (86505-42-2,86505-49-9,10264-55-8)

Guidance literature:

With hydrogen; In water; at 160 ℃; for 10h; under 30003 Torr; Autoclave;

DOI:10.1039/c5gc02528a

Reference yield: 92.0%

cyclopent-2-enone (930-30-3) + diethylzinc (557-20-0) → (S)-3-ethylcyclopentanone (10264-55-8,86505-42-2,86505-49-9)

Guidance literature:

With copper(I) trifluoromethanesulfonate benzene; bis[(S,S)-H₈-BINOL][(R)-BINOL]diphosphite; In diethyl ether; at -30 ℃;

DOI:10.1021/ol026581+

upstream raw materials:

3-ethyladipic acid

cyclopent-2-enone

triethyl borane

4-vinylcyclopent-2-en-1-one

Downstream raw materials:

4-ethyl-2-piperidinone

1-(3-chlorophenethyl)-3-(3-ethylcyclopentyl)pyrimidine-2,4,6(1H,3H,5H)-trione

1-(4-chlorophenethyl)-3-(3-ethylcyclopentyl)pyrimidine-2,4,6(1H,3H,5H)-trione

(R)-3-ethylcyclopentanone