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

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

Uses

Used in Pharmaceutical Industry:
5-Hydroxy-4,4-dimethylvaleronitrile is used as a building block for the synthesis of various organic compounds, contributing to the development of new pharmaceutical products.
Used in Chemical Industry:
5-hydroxy-4,4-dimethylvaleronitrile serves as a precursor for the production of agrochemicals, which are essential for enhancing crop protection and yield.
Used in Flavor and Fragrance Industry:
5-Hydroxy-4,4-dimethylvaleronitrile is utilized as a starting material for creating unique flavors and fragrances, adding to the diversity of scents and tastes in various consumer products.
Used in Specialty Chemicals Production:
It is also employed in the synthesis of specialty chemicals, which have specific applications in industries such as coatings, adhesives, and plastics.
Safety Note:
It is crucial to handle 5-hydroxy-4,4-dimethylvaleronitrile with care due to its potential hazards if not managed 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.

Syntheses and biological evaluation of vinblastine congeners.

Sixty-two congeners of vinblastine (VLB), primarily with modifications of the piperidine ring in the carbomethoxycleavamine moiety of the binary alkaloid, were synthesized and evaluated for cytotoxicity against murine L1210 leukemia and RCC-2 rat colon cancer cells, and for their ability to inhibit polymerization of microtubular protein at 10(7) M concentrations was found for L1210 inhibition by these compounds, with the most active 1000x as potent as vinblastine.

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.

Synthesis of vinblastine and vincristine type compounds

A new process for the stereospecific synthesis of alkaloids of the vinblastine and vincristine type including the synthesis of vinblastine and vincristine as well novel alkaloids which are active as anti-tumor agents.