ChemicalBook >> CAS DataBase List >>3-Oxo-cyclopentanecarbonitrile

3-Oxo-cyclopentanecarbonitrile

CAS No.
41171-91-9
Chemical Name:
3-Oxo-cyclopentanecarbonitrile
Synonyms
3-Cyanocyclopentanone;3-Oxo-cyclopentanecarbonitrile;Cyclopentanecarbonitrile, 3-oxo-;3-Oxocyclopentane-1-Carbonitrile
CBNumber:
CB12669729
Molecular Formula:
C6H7NO
Molecular Weight:
109.13
MDL Number:
MFCD21184612
MOL File:
41171-91-9.mol
MSDS File:
SDS
Last updated:2026-05-27 23:20:40
Product description Number Pack Size Price
3-Oxocyclopentane-1-carbonitrile RBA17191 1g $354
3-Oxocyclopentane-1-carbonitrile RBA17191 10g $2596
3-Oxocyclopentane-1-carbonitrile 98% OR940018 100mg $73
3-Oxocyclopentane-1-carbonitrile 98% OR940018 250mg $123
3-Oxocyclopentane-1-carbonitrile 98% OR940018 1g $336
More product size

3-Oxo-cyclopentanecarbonitrile Properties

Boiling point 250-270 °C(Press: 1 Torr)
Density 1.08±0.1 g/cm3(Predicted)
storage temp. 2-8°C
InChI 1S/C6H7NO/c7-4-5-1-2-6(8)3-5/h5H,1-3H2
InChIKey RJDDBRGASHENKL-UHFFFAOYSA-N
SMILES N#CC1CCC(=O)C1
UNSPSC Code 12352100
NACRES NA.21

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
WGK Germany  WGK 3
HS Code  2926907090
Storage Class 10 - Combustible liquids

3-Oxo-cyclopentanecarbonitrile price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Biosynth RBA17191 3-Oxocyclopentane-1-carbonitrile 41171-91-9 1g $354 2026-06-05 Buy
Biosynth RBA17191 3-Oxocyclopentane-1-carbonitrile 41171-91-9 10g $2596 2026-06-05 Buy
Apolloscientific OR940018 3-Oxocyclopentane-1-carbonitrile 98% 41171-91-9 100mg $73 2026-06-04 Buy
Apolloscientific OR940018 3-Oxocyclopentane-1-carbonitrile 98% 41171-91-9 250mg $123 2026-06-04 Buy
Apolloscientific OR940018 3-Oxocyclopentane-1-carbonitrile 98% 41171-91-9 1g $336 2026-06-04 Buy
Product number Packaging Price Buy
RBA17191 1g $354 Buy
RBA17191 10g $2596 Buy
OR940018 100mg $73 Buy
OR940018 250mg $123 Buy
OR940018 1g $336 Buy

3-Oxo-cyclopentanecarbonitrile Chemical Properties,Uses,Production

Uses

3-Cyanocyclopentanone is used for catalytic enantioselective conjugate addition of cyanide to enones.

Definition

ChEBI: An alicyclic ketone that is cyclopentanone substituted at position 3 by a cyano group.

Synthesis Reference(s)

The Journal of Organic Chemistry, 38, p. 3455, 1973 DOI: 10.1021/jo00960a002

Synthesis

2-Cyclopenten-1-one

930-30-3

3-Oxo-cyclopentanecarbonitrile

41171-91-9

General procedure for the synthesis of 3-oxocyclopentanecarbonitrile from 2-cyclopentenone: a mixed solution of 2-cyclopentenone (10 g, 122 mmol), potassium cyanide (9.5 g, 146 mmol), and triethylamine hydrochloride (25 g, 83 mmol) in methanol (150 mL) was stirred for 4 hours at room temperature. Upon completion of the reaction, the reaction mixture was concentrated; the residue was redissolved in ethyl acetate. The resulting solution was washed sequentially with water and saturated saline, dried over anhydrous sodium sulfate and concentrated. The residue was purified by silica gel column chromatography (petroleum ether: ethyl acetate = 5:1) to give 7.5 g of 3-oxocyclopentanecarbonitrile.1H NMR (400 MHz, CDCl3): δ 3.13-3.51 (m, 1H), 2.56-2.63 (m, 1H), 2.16-2.48 (m, 5H).

References

[1] Journal of Organic Chemistry, 1997, vol. 62, # 15, p. 5144 - 5155
[2] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 5, p. 2164 - 2167
[3] Patent: WO2013/28670, 2013, A1. Location in patent: Page/Page column 119; 120

3-Oxo-cyclopentanecarbonitrile Preparation Products And Raw materials

Global( 43)Suppliers
Supplier Tel Email Country ProdList Advantage
ATK CHEMICAL COMPANY LIMITED
+undefined-21-51877795 ivan@atkchemical.com China 32998 60
Jinan Carbotang Biotech Co.,Ltd.
+8615866703830 figo.gao@foxmail.com China 8491 58
Accela ChemBio Inc.
+1-858-6993322 +86-18019713315 info@accelachem.com United States 21189 58
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
+8613580539051 joe@yuhengpharm.com CHINA 21135 58
NINGBOBENKANGJS PHARMTECHCO., LTD
+8615990591583 15990591583 CHINA 2028 58
Labnetwork lnc.
+86-27-50766799 +86-18062016861 contact@labnetwork.com China 19981 58
SUZHOU SENFEIDA CHEMICAL CO.,LTD
+86-0512-83500002 +86-15195660023 3899766280@qq.com China 26349 58
HANGZHOU LEAP CHEM CO., LTD.
+86-571-87711850 +86-15355479329 market18@leapchem.com China 43303 58
Suzhou ARTK Medchem Co., Ltd.
+86-18168183658 sales1@artkmedchem.com China 39007 58
DAYANG CHEM (HANGZHOU) CO.,LTD
+86-88938639 +86-17705817739 info@dycnchem.com China 53799 58
3-Oxo-cyclopentanecarbonitrile 3-Oxocyclopentane-1-Carbonitrile Cyclopentanecarbonitrile, 3-oxo- 3-Cyanocyclopentanone 41171-91-9