25252-68-0

Basic information

• Product Name: 5-hydroxy-4,4-dimethylvaleronitrile
• Synonyms: 5-hydroxy-4,4-dimethylvaleronitrile;5-hydroxy-4,4-dimethylpentanenitrile;Einecs 246-760-9
• CAS NO: 25252-68-0
• Molecular Formula: C₇H₁₃NO
• Molecular Weight: 127.18422
• EINECS: 246-760-9
• Mol File: 25252-68-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 240.1 °C at 760 mmHg
• Flash Point: 99 °C
• Appearance: /
• Density: 0.941 g/cm³
• Vapor Pressure: 0.00675mmHg at 25°C
• Refractive Index: 1.444
• PKA: 14.82±0.10(Predicted)
• CAS DataBase Reference: 5-hydroxy-4,4-dimethylvaleronitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-hydroxy-4,4-dimethylvaleronitrile(25252-68-0)
• EPA Substance Registry System: 5-hydroxy-4,4-dimethylvaleronitrile(25252-68-0)

Safety Data

• Hazardous Substances Data: 25252-68-0(Hazardous Substances Data)

Usage

General Description

5-hydroxy-4,4-dimethylvaleronitrile is a chemical compound with the molecular formula C8H15NO. It is a nitrile derived from valeric acid and contains a hydroxy group and two methyl groups attached to the carbon chain. 5-hydroxy-4,4-dimethylvaleronitrile is commonly used in the pharmaceutical and chemical industries as a building block for the synthesis of various organic compounds. It can also be used as a precursor for the production of agrochemicals, flavors, fragrances, and other specialty chemicals. However, it is important to handle this compound with care as it can be hazardous if not handled properly.

InChI:InChI=1/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3

Upstream product

• 6140-61-0 4,4-dimethyl-5-oxopentanenitrile 
• 75-09-2 dichloromethane 
• 7732-18-5 water 
• 126554-00-5 N-[1-(E)-penten-1-yl]pyrrolidine 

Downstream Products

• 106475-56-3 5-(3,5-dinitro-benzoyloxy)-4,4-dimethyl-valeronitrile 
• 101115-48-4 toluene-4-sulfonic acid-(4-cyano-2,2-dimethyl-butyl ester) 
• 13532-77-9 5-amino-2,2-dimethylpentan-1-ol 
• 53783-86-1 3,3-dimethylcyclobutane-1-carbonitrile 

Relevant articles and documents

Inhibitors of aspartyl protease

The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

Electroorganic Chemistry. 140. Electroreductively Intra- and Intermolecular Couplings of Ketones with Nitriles

Electroreduction of γ- and δ-cyano ketones in i-PrOH with Sn cathode gave α-hydroxy ketones and their dehydroxylated ketones as the intramolecularly coupled products.Guaiazulene, (-)-valeranone, polyquinanes, dihydrojasmone, methyl dihydrojasmonate, and rosaprostol have been synthesized by utilizing this electroreductive intramolecular coupling of γ- and δ-cyano ketones in one of the key steps.Similarly, electroreduction of a mixture of ketone and nitrile gave the corresponding intermolecularly coupled product.The product obtained by the electroreductive intermolecular coupling of (+)-dihydrocarvone with acetonitrile has been found to be the precursor of an effective chiral ligand for the enantioselective addition of diethylzinc to aldehydes.