- Preparation of quinazoline derivatives as RAF kinase modulators for treating cancers, inflammations and immune diseases, World Intellectual Property Organization, , ,
Cas no 95882-33-0 (3-Cyclopentyl-3-oxopropanenitrile)
3-Cyclopentyl-3-oxopropanenitrile is a versatile organic compound featuring a cyclopentyl group attached to a β-ketonitrile moiety. Its structure combines the reactivity of a ketone and a nitrile, making it a valuable intermediate in synthetic chemistry. The cyclopentyl ring enhances lipophilicity, which can be advantageous in pharmaceutical and agrochemical applications. The compound's ketone functionality allows for further derivatization, such as condensation or reduction reactions, while the nitrile group offers potential for hydrolysis or nucleophilic addition. This dual functionality enables its use in the synthesis of heterocycles, fine chemicals, and bioactive molecules. Its stability under standard conditions and compatibility with common organic solvents further contribute to its utility in laboratory and industrial settings.
95882-33-0 structure
Product Name:3-Cyclopentyl-3-oxopropanenitrile
CAS No:95882-33-0
MF:C8H11NO
MW:137.179042100906
MDL:MFCD04114391
CID:803446
PubChem ID:13592118
Update Time:2025-07-02
3-Cyclopentyl-3-oxopropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclopentyl-3-oxopropanenitrile
- 3-Cyclopentyl-3-oxo-propionitrile
- Cyclopentanepropanenitrile,b-oxo-
- 3-Cyclopentyl-3-oxopropionitrile
- β-Oxocyclopentanepropanenitrile (ACI)
- 95882-33-0
- DB-080356
- AKOS009236565
- FOCJXECLIBAZSA-UHFFFAOYSA-N
- PB32362
- CHEMBL4593178
- SY042272
- EN300-129015
- WS-01519
- MFCD04114391
- SCHEMBL573499
- CS-0053864
- DTXSID50544560
- 3-cyclopentyl-3-oxo-propanenitrile
-
- MDL: MFCD04114391
- Inchi: 1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2
- InChI Key: FOCJXECLIBAZSA-UHFFFAOYSA-N
- SMILES: N#CCC(C1CCCC1)=O
Computed Properties
- Exact Mass: 137.08400
- Monoisotopic Mass: 137.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- Density: 1.056±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 229.5±13.0 oC (760 Torr),
- Flash Point: 92.6±19.8 oC,
- Solubility: Slightly soluble (4.4 g/l) (25 o C),
- PSA: 40.86000
- LogP: 1.65938
3-Cyclopentyl-3-oxopropanenitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-Cyclopentyl-3-oxopropanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | ST-C10418-5g |
3-Cyclopentyl-3-oxo-propionitrile - C10418 |
95882-33-0 | 5g |
20092CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | ST-C10418-1g |
3-Cyclopentyl-3-oxo-propionitrile - C10418 |
95882-33-0 | 1g |
6127CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | ST-C10418-10g |
3-Cyclopentyl-3-oxo-propionitrile - C10418 |
95882-33-0 | 10g |
32062CNY | 2021-05-07 | ||
| Chemenu | CM109223-1000g |
3-cyclopentyl-3-oxopropanenitrile |
95882-33-0 | 95+% | 1000g |
$4480 | 2021-08-06 | |
| TRC | C993163-25mg |
3-Cyclopentyl-3-oxopropanenitrile |
95882-33-0 | 25mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C993163-50mg |
3-Cyclopentyl-3-oxopropanenitrile |
95882-33-0 | 50mg |
$ 70.00 | 2022-06-06 | ||
| TRC | C993163-250mg |
3-Cyclopentyl-3-oxopropanenitrile |
95882-33-0 | 250mg |
$ 250.00 | 2022-06-06 | ||
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 10R0048-1g |
3-Cyclopentyl-3-oxo-propionitrile |
95882-33-0 | 97% | 1g |
1679.12CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 10R0048-5g |
3-Cyclopentyl-3-oxo-propionitrile |
95882-33-0 | 97% | 5g |
5919.34CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 10R0048-500mg |
3-Cyclopentyl-3-oxo-propionitrile |
95882-33-0 | 97% | 500mg |
1263.58CNY | 2021-05-08 |
3-Cyclopentyl-3-oxopropanenitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; reflux; 50 min, reflux; overnight, reflux; reflux → rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 65 °C; 16 h, 65 °C
1.2 Reagents: Water ; cooled
1.3 pH 4 - 5
1.2 Reagents: Water ; cooled
1.3 pH 4 - 5
Reference
- Preparation of substituted pyrimidines as modulators of MYC family proto-oncogene protein, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -78 °C; 1 h, -78 °C
1.2 -78 °C; 1 h, -78 °C; -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water
1.2 -78 °C; 1 h, -78 °C; -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
- Preparation of pyrazoloquinazolinone and pyrroloquinazolinone derivatives as mGluR2 allosteric modulators useful for treatment of neurological, psychiatric, and other disorders, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 70 °C; overnight, 70 °C
Reference
- Preparation of arylquinoline derivatives as dual FABP inhibitors, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: 1,4-Dioxane ; 30 min, rt
1.2 30 min, rt; 16 h, 105 °C; cooled
1.3 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.2 30 min, rt; 16 h, 105 °C; cooled
1.3 Reagents: Hydrochloric acid Solvents: Water ; acidified
Reference
- Preparation of 7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidine derivatives which are useful in the treatment, amelioration or prevention of a viral disease, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: 1,4-Dioxane ; 30 min, rt
1.2 30 min, rt; 16 h, 105 °C
1.2 30 min, rt; 16 h, 105 °C
Reference
- Preparation of oxothiazolopyridine carbonic acid derivatives for use as antiviral agents, World Intellectual Property Organization, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Sodium bis(trimethylsilyl)amide Solvents: Tetrahydrofuran ; -14.6 °C; 50 min, -14.6 °C; < -3 °C; 10 min, -10 °C; -10 °C → 20 °C; 1 h, 20 °C; overnight, 24 °C; 24 °C → 3 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; < 27 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; < 27 °C
Reference
- Process for preparing enantiomerically enriched JAK inhibitors, United States, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; rt → 75 °C; 15 h, 70 °C
Reference
- Preparation of Ruxolitinib intermediate, China, , ,
Production Method 9
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; overnight, reflux
1.2 Solvents: Water ; pH 8
1.2 Solvents: Water ; pH 8
Reference
- Preparation of pyridine-based compounds as kinase inhibitors useful for treatment of proliferative diseases, World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; rt; overnight, reflux
1.2 Reagents: Hydrogen ion Solvents: Water ; pH 8
1.2 Reagents: Hydrogen ion Solvents: Water ; pH 8
Reference
- Preparation of heterocyclic ureas as kinase inhibitors useful for the treatment of proliferative and inflammatory diseases, World Intellectual Property Organization, , ,
3-Cyclopentyl-3-oxopropanenitrile Raw materials
3-Cyclopentyl-3-oxopropanenitrile Preparation Products
3-Cyclopentyl-3-oxopropanenitrile Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
95882-33-0 (3-Cyclopentyl-3-oxopropanenitrile) Related Products
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- 66984-18-7(1-methyl-2-oxocyclopentane-1-carbonitrile)
- 2941-29-9(2-oxocyclopentane-1-carbonitrile)
- 69843-83-0(Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo-)
- 128893-49-2(4-(2-oxocyclopentyl)butanenitrile)
- 335421-55-1(Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI))
- 138260-51-2(Cyclopentanone-2-carbonitrile)
- 403615-63-4(Cyclopentanecarbonitrile,1-acetyl-)
- 4594-77-8(3-(2-Oxocyclopentyl)propanenitrile)
- 51004-14-9(2-(2-oxocyclopentyl)acetonitrile)
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