77-57-6

Basic information

• Product Name: 1-Phenyl-1-cyclopentanecarbonitrile
• Synonyms: 1-Phenylcyclopentanenitrile;Cyclopentanecarbonitrile, 1-phenyl-;1-PHENYLCYCLOPENTANECARBONITRILE;1-PHENYL-1-CYCLOPENTANECARBONITRILE;1-CYANO-1-PHENYLCYCLOPENTANE;1-Phenyl-1-cyclopentanecarbonitrile,98%;1-phenylcyclopentane-1-carbonitrile;1-Phenyl-1-cyclopentanecarbonitrile, 98% 10GR
• CAS NO: 77-57-6
• Molecular Formula: C₁₂H₁₃N
• Molecular Weight: 171.24
• EINECS: 201-038-2
• Mol File: 77-57-6.mol

Chemical Properties

• Boiling Point: 135-140 °C (10 mmHg)
• Flash Point: 113.5 °C
• Appearance: clear light yellow liquid
• Density: 1.03
• Vapor Pressure: 0.00542mmHg at 25°C
• Refractive Index: 1.5325-1.5345
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility: insoluble
• CAS DataBase Reference: 1-Phenyl-1-cyclopentanecarbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Phenyl-1-cyclopentanecarbonitrile(77-57-6)
• EPA Substance Registry System: 1-Phenyl-1-cyclopentanecarbonitrile(77-57-6)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26
• Hazardous Substances Data: 77-57-6(Hazardous Substances Data)

Usage

Chemical Properties

clear light yellow liquid

InChI:InChI=1/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

Upstream product

• 110-52-1 1,4-dibromo-butane 
• 140-29-4 phenylacetonitrile 
• 110-56-5 1,4-dichlorobutane 
• 4254-02-8 cyclopentanecarbonitrile 
• 108-86-1 bromobenzene 
• 1556-18-9 cyclopentyl iodide 
• 28247-14-5 ethyl 1-cyanocyclopentanecarboxylate 
• 1309660-34-1 potassium 1-cyanocyclopentane-1-carboxylate 

Downstream Products

• 17206-41-6 1-(1-phenyl-cyclopentyl)-propan-1-one 
• 4046-09-7 1-(1-phenylcyclopentyl)ethan-1-one 
• 77-55-4 1-phenyl-1-cyclopentanecarboxylic acid 
• 21573-69-3 1-phenyl-1-cyclopentanecarboxaldehyde 
• 17511-89-6 (1-phenylcyclopentyl)methylamine 
• 4535-96-0 1-phenyl-1-cyclopentanecarboxylic acid methyl ester 
• 57554-20-8 Ethyl-1-phenyl-cyclopent-1-yl-formimidat 
• 4535-95-9 1-ethoxycarbonyl-1-phenylcyclopentane 
• 17206-44-9 <1-Phenyl-cyclopentyl>-isopropyl-keton 
• 41848-73-1 phenyl(1-phenylcyclopentyl)methanone 
• 17380-62-0 1-phenylcyclopentanecarboxylic acid chloride 
• 68983-71-1 C-[Bis-(1-phenyl-cyclopentyl)]-methyleneamine 
• 5296-89-9 1-phenylcyclopentane-1-carboxamide 
• 59358-70-2 1,1'-Diphenyl-1,1'-bicyclopentyl 

Relevant articles and documents

Palladium-Catalyzed Distal m-C-H Functionalization of Arylacetic Acid Derivatives

Herein, we present m-C-H olefination on derivatives of phenylacetic acids by tethering with a simple nitrile-based template through palladium catalysis. Notably, the versatility of the method is evaluated with a wide range of phenylacetic acid derivatives for obtaining the meta-olefination products in fair to excellent yields with outstanding selectivities under mild conditions. Significantly, the present strategy is successfully exemplified for the synthesis of drugs/natural product analogues (naproxen, ibuprofen, paracetamol, and cholesterol).

CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES

A chemoselective and reactive Mn(CF3-PDP) catalyst system that enables for the first time the strategic advantages of late-stage aliphatic C—H hydroxylation to be leveraged in aromatic compounds. This discovery will benefit small molecule therapeutics by enabling the rapid diversification of aromatic drugs and natural products and identification of their metabolites.

Oxadiazole Amine Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same

The present invention relates to a novel compound having an activity of inhibiting histone deacetylase 6 (HDAC6), an optical isomer thereof or a pharmaceutically acceptable salt thereof, a use thereof for preparation of a drug for treatment, a pharmaceutical composition comprising the same, a treatment method using the composition, and a method for preparing the same. The novel compound, an optical isomer thereof or a pharmaceutically acceptable salt thereof according to the present invention has an activity of inhibiting histone deacetylase 6 (HDAC6), and is effective for preventing or treating HDAC6-related diseases, including infectious diseases; neoplasm; endocrine, nutritional and metabolic diseases; mental and behavior disorders; nerve disorders; eye and adnexa diseases; cardiovascular diseases; respiratory diseases; digestive organ diseases; skin and subcutaneous tissue diseases; musculoskeletal and connective tissue diseases; or congenital malformation, deformation and chromosomal abnormality.COPYRIGHT KIPO 2017

Highly Diastereoselective α-Arylation of Cyclic Nitriles

A highly diastereoselective α-arylation of cyclic nitriles has been developed via a Negishi cross-coupling of commercially available aryl, heteroaryl, and alkenyl halides with cyclobutyl nitriles in the presence of tetramethylpiperidinylzinc chloride lithium chloride (TMPZnCl-LiCl) and catalytic XPhos-Pd-G2. A variety of electronically diverse electrophiles were well tolerated, and this chemistry was further advanced with application of both cyclopropyl and cyclopentyl nitriles.

Hydride Reduction by a Sodium Hydride-Iodide Composite

Sodium hydride (NaH) is widely used as a Br?nsted base in chemical synthesis and reacts with various Br?nsted acids, whereas it rarely behaves as a reducing reagent through delivery of the hydride to polar π electrophiles. This study presents a series of reduction reactions of nitriles, amides, and imines as enabled by NaH in the presence of LiI or NaI. This remarkably simple protocol endows NaH with unprecedented and unique hydride-donor chemical reactivity.

Apatinib preparation method

The present invention relates to an apatinib preparation method, wherein specifically an organic solvent is selected to perform refining crystallization to obtain the apatinib. The method of the present invention has advantages of simple operation and low cost, and is suitable for large-scale production.

PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE

The present invention relates to a compound having the general formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

Dihydroxypyrimidine carbonic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease

The present invention relates to a compound having the general formula (Di), (Dii), or (Diii), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

Synthesis of α-Aryl nitriles through palladium-catalyzed decarboxylative coupling of cyanoacetate salts with aryl halides and triflates

Worth its salt: The palladium-catalyzed decarboxylative coupling of the cyanoacetate salt as well as its mono- and disubstituted derivatives with aryl chlorides, bromides, and triflates is described (see scheme). This reaction is potentially useful for the preparation of a diverse array of α-aryl nitriles and has good functional group tolerance. S-Phos=2-(2,6- dimethoxybiphenyl)dicyclohexylphosphine), Xant-Phos=4,5-bis(diphenylphosphino)- 9,9-dimethylxanthene. Copyright

Ionic liquids as catalytic green solvents for nucleophilic displacement reactions

We demonstrate the use of room-temperature ionic liquids as a catalytic, environmentally benign solvent for the cyanide displacement on benzyl chloride, replacing phase-transfer catalyzed biphasic systems and thus eliminating the need for a volatile organic solvent and hazardous catalyst disposal.