64798-33-0

Basic information

• Product Name: 2-(3-chloro-phenyl)-2-methyl-propionitrile
• Synonyms: 2-(3-chloro-phenyl)-2-methyl-propionitrile
• CAS NO: 64798-33-0
• Molecular Weight: 179.649
• Mol File: 64798-33-0.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: 2-(3-chloro-phenyl)-2-methyl-propionitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-chloro-phenyl)-2-methyl-propionitrile(64798-33-0)
• EPA Substance Registry System: 2-(3-chloro-phenyl)-2-methyl-propionitrile(64798-33-0)

Safety Data

• Hazardous Substances Data: 64798-33-0(Hazardous Substances Data)

Usage

Type of compound

Nitrile

Key structural feature

Contains a cyano group attached to a carbon atom

Characteristic substituent

3-chloro-phenyl group attached to the second carbon atom

Usage

Synthesis of pharmaceuticals and agrochemicals, potential building block in organic synthesis, potential applications in medicinal chemistry

Potential

Structural features and biological activities

Upstream product

• 1529-41-5 3-chloro-benzeneacetonitrile 
• 74-88-4 methyl iodide 
• 766-84-7 3-chloro-benzonitrile 
• 74-83-9 methyl bromide 

Downstream Products

• 92015-24-2 2-(3-chlorophenyl)-2-methylpropan-1-amine 
• 1440519-53-8 [2-(3-chlorophenyl)-2-methylpropyl]carbamic acid methyl ester 
• 1239963-98-4 2-chloro-4-(2-(1-(4-fluoro-3-methoxyphenyl)-2-mercapto-1H-imidazol-5-yl)propan-2-yl)benzenesulfonamide 
• 1239964-05-6 2-chloro-4-(4-(3-(4-fluoro-3-methoxyphenyl)thioureido)-2-methyl-3-oxobutan-2-yl)benzenesulfonamide 
• 1239964-04-5 4-(4-amino-2-methyl-3-oxobutan-2-yl)-2-chlorobenzenesulfonamide hydrochloride 
• 1239964-03-4 4-(4-azido-2-methyl-3-oxobutan-2-yl)-2-chlorobenzenesulfonamide 
• 1239964-02-3 4-(4-bromo-2-methyl-3-oxobutan-2-yl)-2-chlorobenzenesulfonamide 
• 1239964-01-2 2-chloro-4-(2-methyl-3-oxobutan-2-yl)benzenesulfonamide 
• 1239964-00-1 2-chloro-4-(2-methyl-3-oxobutan-2-yl)benzene-1-sulfonyl chloride 
• 1017478-92-0 3-(3-chlorophenyl)-3-methylbutan-2-one 
• 1239963-99-5 3-(3-chlorophenyl)-3-methylbutan-2-ol 
• 64798-35-2 2-(3-chlorophenyl)-2-methylpropanoic acid 
• 64798-34-1 2-(3-chloro-phenyl)-2-methyl-propionic acid amide 
• 1035261-92-7 diethyl 2-(2-(3-chlorophenyl)-2-methylpropanoyl)malonate 

Relevant articles and documents

BENZAMIDE COMPOUNDS AS ROR GAMMA MODULATORS

The present disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein ring A, R1, R2, R3, R4, R5, n and p are as defined herein, which are active as modulators of retinoid-related orphan receptor gamma t (RORγt). These compounds prevent, inhibit, or suppress the action of RORγt and are therefore useful in the treatment of RORγt mediated diseases, disorders, syndromes or conditions such as, e.g., pain, inflammation, COPD, asthma, rheumatoid arthritis, colitis, multiple sclerosis, psoriasis, neurodegenerative diseases and cancer.

Structure-activity relationship of N,N′-disubstituted pyrimidinetriones as CaV1.3 calcium channel-selective antagonists for Parkinson's disease

CaV1.3 L-type calcium channels (LTCCs) have been a potential target for Parkinson's disease since calcium ion influx through the channel was implicated in the generation of mitochondrial oxidative stress, causing cell death in the dopaminergic neurons. Selective inhibition of CaV1.3 over other LTCC isoforms, especially CaV1.2, is critical to minimize potential side effects. We recently identified pyrimidinetriones (PYTs) as a CaV1.3-selective scaffold; here we report the structure-activity relationship of PYTs with both CaV1.3 and CaV1.2 LTCCs. By variation of the substituents on the cyclopentyl and arylalkyl groups of PYT, SAR studies allowed characterization of the CaV1.3 and Ca V1.2 LTCCs binding sites. The SAR also identified four important moieties that either retain selectivity or enhance binding affinity. Our study represents a significant enhancement of the SAR of PYTs at CaV1.3 and CaV1.2 LTCCs and highlights several advances in the lead optimization and diversification of this family of compounds for drug development.

TGR5 AGONISTS

TGR5 agonists of structural formula VIII(Q), wherein X, R1, R2, and R5 are defined in the specification, pharmaceutically acceptable salts thereof, compositions thereof, and use of the compounds and compositions for treating diseases. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases.