4-Cyclopentyl-4-oxobutyric acid

Base Information

• Chemical Name: 4-Cyclopentyl-4-oxobutyric acid
• CAS No.: 3400-90-6
• Molecular Formula: C9H14O3
• Molecular Weight: 170.21
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID60442669
• Nikkaji Number: J398.009J
• Wikidata: Q82260076
• ChEMBL ID: CHEMBL150580
• Mol file: 3400-90-6.mol

Synonyms:4-CYCLOPENTYL-4-OXOBUTYRIC ACID;3400-90-6;4-cyclopentyl-4-oxobutanoic acid;4-Cyclopentyl-4-oxo-butyric acid;MFCD01320143;CHEMBL150580;SCHEMBL3991168;DTXSID60442669;LOVFEGLWBFHQLB-UHFFFAOYSA-N;4-CYCLOPENTYL-4-OXOBUTYRICACID;AKOS011348500;FT-0740721

Chemical Property of 4-Cyclopentyl-4-oxobutyric acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 323.421°C at 760 mmHg
• Flash Point: 163.612°C
• PSA: 54.37000
• Density: 1.153g/cm³
• LogP: 1.61050
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

4-Cyclopentyl-4-oxobutyricacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)C(=O)CCC(=O)O

Technology Process of 4-Cyclopentyl-4-oxobutyric acid

There total 9 articles about 4-Cyclopentyl-4-oxobutyric acid 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:

11-methyl-11-phenyl-1,12-dioxa-dispiro[4.0.4.2]dodecan-2-one → 4-oxo-4-cyclopentylbutanoic acid (3400-90-6)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 1h;

DOI:10.1080/00397919908085951

Reference yield:

11,11-diphenyl-1,12-dioxa-dispiro[4.0.4.2]dodecan-2-one → 4-oxo-4-cyclopentylbutanoic acid (3400-90-6)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 1h;

DOI:10.1080/00397919908085951

Reference yield:

succinic acid anhydride (108-30-5) + Cyclopentyl bromide (137-43-9) → 4-oxo-4-cyclopentylbutanoic acid (3400-90-6)

Guidance literature:

Cyclopentyl bromide; With magnesium; In diethyl ether; Reflux;

succinic acid anhydride; With iron(III)-acetylacetonate; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/jo400164y

upstream raw materials:

1-(3-Aethoxycarbonyl-propionyl)-cyclopentan-1-carbonsaeure-aethylester

diethyl 2-(cyclopentanecarbonyl)succinate

ethyl 4-(cyclopentyl)-4-oxobutanoate

Cyclopentanecarboxylic acid chloride

Downstream raw materials:

(-)-(3R,7aR)-3-Phenyl-5-oxo-7a-cyclopentyl-2,3,5,6,7,7a-hexahydropyrrolo<2,1-b>oxazole

ethyl 4-(cyclopentyl)-4-oxobutanoate

(+)-N-<2-(1-Hydroxy-2(R)-phenylethyl)>-5(S)-cyclopentyl-2-pyrrolidinone

(-)-N-<2-(1-Hydroxy-2(R)-phenylethyl)>-5(S)-cyclopentyl-2-pyrrolidine

Refernces

• 1、 Sudini, Ravinder R.,Saravanan,Kumar, Pradeep. "Efficient regioselective oxetane formation during photochemical transformation of spiro[4. n]-2,5-Diones". . p. 3263 - 3273. Retrieved 2007/10/03.