95882-33-0

Basic information

• Product Name: 3-CYCLOPENTYL-3-OXO-PROPIONITRILE
• Synonyms: 3-CYCLOPENTYL-3-OXO-PROPIONITRILE;b-Oxo-cyclopentanepropanenitrile;3-Cyclopentyl-3-oxopropanenitrile;β-Oxo-cyclopentanepropanenitrile;Cyclopentanepropanenitrile, .beta.-oxo-;3-Cyclopentyl-3-oxo-propionitrile - C10418
• CAS NO: 95882-33-0
• Molecular Formula: C₈H₁₁NO
• Molecular Weight: 137.18
• Mol File: 95882-33-0.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 229.5 °C at 760 mmHg
• Flash Point: 92.6 °C
• Appearance: /
• Density: 1.056 g/cm³
• PKA: 9.77±0.20(Predicted)
• CAS DataBase Reference: 3-CYCLOPENTYL-3-OXO-PROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CYCLOPENTYL-3-OXO-PROPIONITRILE(95882-33-0)
• EPA Substance Registry System: 3-CYCLOPENTYL-3-OXO-PROPIONITRILE(95882-33-0)

Safety Data

• Hazardous Substances Data: 95882-33-0(Hazardous Substances Data)

Usage

General Description

3-CYCLOPENTYL-3-OXO-PROPIONITRILE, also known as 3-Cyclopentylpropanenitrile, is a chemical compound with the molecular formula C8H11NO. It is a nitrile derivative with a cyclopentyl group and a ketone group. 3-CYCLOPENTYL-3-OXO-PROPIONITRILE is commonly used in organic synthesis and pharmaceutical research as an intermediate in the production of various drugs and pharmaceutical compounds. It is known for its ability to undergo a variety of chemical reactions, making it a versatile building block in the production of other organic compounds. Additionally, it has potential applications in the development of new materials and chemical processes due to its unique chemical structure and reactivity.

InChI:InChI=1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2

Upstream product

• 3400-45-1 cyclopentanecarboxylic acid 
• 5453-85-0 ethyl cyclopentanecarboxylate 
• 75-05-8 acetonitrile 
• 4630-80-2 methyl cyclopentane carboxylate 

Downstream Products

• 264209-16-7 5-cyclopentyl-2H-pyrazol-3-ylamine 
• 92406-39-8 5-amino-3-cyclopentyl-1-methylpyrazole 
• 1027647-10-4 2-[(5-cyclopentyl-2-methyl-2H-pyrazol-3-ylamino)-methylene]-malonic acid diethyl ester 
• 851520-77-9 4-chloro-3-cyclopentyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid amide 
• 1027498-81-2 4-chloro-3-cyclopentyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester 
• 1027973-80-3 4-chloro-3-cyclopentyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl chloride 
• 1026263-83-1 4-chloro-3-cyclopentyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid 

Relevant articles and documents

Dual-inhibitors of N-Myc and AURKA as potential therapy for neuroendocrine prostate cancer

Resistance to androgen-receptor (AR) directed therapies is, among other factors, associated with Myc transcription factors that are involved in development and progression of many cancers. Overexpression of N-Myc protein in prostate cancer (PCa) leads to its transformation to advanced neuroendocrine prostate cancer (NEPC) that currently has no approved treatments. N-Myc has a short half-life but acts as an NEPC stimulator when it is stabilized by forming a protective complex with Aurora A kinase (AURKA). Therefore, dual-inhibition of N-Myc and AURKA would be an attractive therapeutic avenue for NEPC. Following our computer-aided drug discovery approach, compounds exhibiting potent N-Myc specific inhibition and strong anti-proliferative activity against several N-Myc driven cell lines, were identified. Thereafter, we have developed dual inhibitors of N-Myc and AURKA through structure-based drug design approach by merging our novel N-Myc specific chemical scaffolds with fragments of known AURKA inhibitors. Favorable binding modes of the designed compounds to both N-Myc and AURKA target sites have been predicted by docking. A promising lead compound, 70812, demonstrated low-micromolar potency against both N-Myc and AURKA in vitro assays and effectively suppressed NEPC cell growth.

Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same

The present disclosure relates to a novel phenylpyridine derivative represented by Chemical Formula 1 and a pharmaceutical composition comprising the same, and the compound according to the present disclosure can be usefully used for the prevention or treatment of autoimmune diseases or cancers.

A green, economical synthesis of β-ketonitriles and trifunctionalized building blocks from esters and lactones

The acylation of the acetonitrile anion with lactones and esters in ethereal solvents was successfully exploited using inexpensive KOt-Bu to obtain a variety of β-ketonitriles and trifunctionalized building blocks, including useful O-unprotected diols. It was discovered that lactones react to produce the corresponding derivatized cyclic hemiketals. Furthermore, the addition of a catalytic amount of isopropanol, or 18-crown-6, was necessary to facilitate the reaction and to reduce side-product formation under ambient conditions.