(S)-3-Oxocyclopentanecarboxylic acid

Base Information

Chemical Name:(S)-3-Oxocyclopentanecarboxylic acid
CAS No.:71830-06-3
Molecular Formula:C6 H8 O3
Molecular Weight:128.12592
Hs Code.:
DSSTox Substance ID:DTXSID50357556
Wikidata:Q82137502
ChEMBL ID:CHEMBL4455596
Mol file:71830-06-3.mol

Synonyms:(S)-3-Oxocyclopentanecarboxylic acid;71830-06-3;(1S)-3-oxocyclopentane-1-carboxylic acid;(S)-3-Oxo-cyclopentanecarboxylic acid;Cyclopentanecarboxylic acid, 3-oxo-, (1S)-;MFCD19228332;(1S)-3-Oxocyclopentanecarboxylic acid;(-)-(S)-3-oxocyclopentanecarboxylic acid;SCHEMBL3295484;CHEMBL4455596;DTXSID50357556;RDSNBKRWKBMPOP-BYPYZUCNSA-N;(S)-3-Oxocyclopentanecarboxylicacid;AMY34343;WCA83006;(s)-3-oxocyclopentane carboxylic acid;AKOS006376644;DS-3640;(+/-)-3-oxocyclopentanecarboxylic acid;(1S)-3-Oxocyclopentane carboxylic acid;CS-0044069;P12601;A866358

Suppliers and Price of (S)-3-Oxocyclopentanecarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(S)-3-OxocyclopentanecarboxylicAcid
50mg
$ 65.00

TRC
(S)-3-OxocyclopentanecarboxylicAcid
100mg
$ 90.00

SynQuest Laboratories
(1S)-3-Oxocyclopentane-1-carboxylic acid 97.0%
250 mg
$ 490.00

Matrix Scientific
(S)-3-Oxo-cyclopentanecarboxylicacid 95+%
1g
$ 1073.00

Crysdot
(S)-3-Oxocyclopentanecarboxylicacid 95+%
10g
$ 949.00

Crysdot
(S)-3-Oxocyclopentanecarboxylicacid 95+%
5g
$ 604.00

Crysdot
(S)-3-Oxocyclopentanecarboxylicacid 95+%
25g
$ 1769.00

Chemenu
(1S)-3-oxocyclopentane-1-carboxylicacid 97%
10g
$ 1210.00

Chemenu
(1S)-3-oxocyclopentane-1-carboxylicacid 97%
5g
$ 770.00

Chemenu
(1S)-3-oxocyclopentane-1-carboxylicacid 97%
1g
$ 204.00

Total 18 raw suppliers

Chemical Property of (S)-3-Oxocyclopentanecarboxylic acid

Chemical Property:

Melting Point:64-65 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Boiling Point:300.6±35.0 °C(Predicted)
PKA:4.62±0.20(Predicted)
PSA：54.37000
Density:1.314±0.06 g/cm3(Predicted)
LogP:0.44020
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:128.047344113
Heavy Atom Count:9
Complexity:150

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-OxocyclopentanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)CC1C(=O)O
Isomeric SMILES:C1CC(=O)C[C@H]1C(=O)O

Technology Process of (S)-3-Oxocyclopentanecarboxylic acid

There total 8 articles about (S)-3-Oxocyclopentanecarboxylic 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:

: 108384-36-7,196496-02-3
cyclopentene ⁽²⁾-1-one-3 methylcarboxylate

: 71830-06-3
(-)-(S)-3-oxocyclopentanecarboxylic acid

: 55843-47-5,55843-48-6,101080-22-2,107983-78-8,107983-79-9
(S)-3-Hydroxy-cyclopentanecarboxylic acid

Guidance literature:: With D-glucose; cultures of Geotrichum candidum; phosphate buffer (pH: 7.0); In water; for 48h; Yield given. Yields of byproduct given;
DOI:10.1016/S0040-4039(00)82278-9

Reference yield:

: 41171-91-9
3-oxocyclopentane-1-carbonitrile

: 13012-38-9
(1R)-3-oxocyclopentane-1-carboxylic acid

: 71830-06-3
(-)-(S)-3-oxocyclopentanecarboxylic acid

Guidance literature:: With Syntrophobacter fumaroxidans nitrilase NIT₂₇₈; water; In aq. phosphate buffer; water; at 37 ℃; for 48h; pH=7.3; pH-value; Temperature; Solvent; Overall yield = 74 %; Overall yield = 14 mg; enantiospecific reaction; Enzymatic reaction;
DOI:10.1002/adsc.201201098