4111-12-0

Basic information

• Product Name: 2-hydroxy-2-methylhexanenitrile
• Synonyms: 2-Hydroxy-2-methylhexanenitrile; hexanenitrile, 2-hydroxy-2-methyl-
• CAS NO: 4111-12-0
• Molecular Formula: C₇H₁₃NO
• Molecular Weight: 127.1842
• Mol File: 4111-12-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 231.903°C at 760 mmHg
• Flash Point: 94.052°C
• Density: 0.942g/cm³
• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.444
• CAS DataBase Reference: 2-hydroxy-2-methylhexanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-hydroxy-2-methylhexanenitrile(4111-12-0)
• EPA Substance Registry System: 2-hydroxy-2-methylhexanenitrile(4111-12-0)

Safety Data

• Hazardous Substances Data: 4111-12-0(Hazardous Substances Data)

Upstream product

• 64-17-5 ethanol 
• 74-90-8 hydrogen cyanide 
• 591-78-6 n-hexan-2-one 
• 143-33-9 sodium cyanide 
• 91409-34-6 2-Methyl-2-((trimethylsilyl)oxy)hexanenitrile 
• 151-50-8 potassium cyanide 
• 7677-24-9 trimethylsilyl cyanide 

Downstream Products

• 135415-89-3 (R)-2-hydroxy-2-methylhexanenitrile 
• 164472-77-9 (R)-5-bromo-1-cyanopentyl alcohol 
• 76822-56-5 mexiprostil 
• 76817-55-5 (8R,11R,12R,15S,16S)-11,15-diydroxy-16-methyl-16-methoxy-9-oxo-prost-13-en-1-oic acid methyl ester 
• 76817-54-4 (15S,16R)-16-methoxy-16-methyl-epi-PGE₁ methyl ester 
• 76817-56-6 (16S)-16-methoxy-16-methyl-PGE₁ methyl ester 
• 61408-68-2 (16R)-16-methoxy-16-methyl-PGE₂ methyl ester 
• 1092080-89-1 (S)-1-cyano-1-methylpentyl (S)-2-methoxy-2-phenylacetate 
• 1092080-87-9 (S)-1-cyano-1-methylpentyl (R)-2-methoxy-2-phenylacetate 
• 74-90-8 hydrogen cyanide 
• 253782-12-6 (R)-(+)-8-bromo-2-hydroxyoctanenitrile 
• 591-78-6 n-hexan-2-one 
• 52358-06-2 (S)-hexanal cyanohydrin 
• 52358-06-2 (R)-2-hydroxyheptanenitrile 

Relevant articles and documents

A new (R)-hydroxynitrile lyase from Prunus mume: Asymmetric synthesis of cyanohydrins

A new hydroxynitrile lyase (HNL) was isolated from the seed of Japanese apricot (Prunus mume). The enzyme has similar properties with HNL isolated from other Prunus species and is FAD containing enzyme. It accepts a large number of unnatural substrates (benzaldehyde and its variant) for the addition of HCN to produce the corresponding cyanohydrins in excellent optical and chemical yields. A new HPLC based enantioselective assay technique was developed for the enzyme, which promotes the addition of KCN to benzaldehyde in a buffered solution (pH=4.5).

Structure-Activity Studies of 16-Methoxy-16-methyl Prostaglandins

The synthesis of the pure diastereoisomer of 16-methoxy-16-methyl-PGF2α, -PGE2, and PGE1 is described.The absolute configuration of C-16 was established by chemical methods, while the absolute C-15 configurations of the diastereoisomers were assigned tentatively on the basis of their chromatographic behavior and NMR spectra.The synthetic prostaglandin analogues were evaluated for antisecretory, antifertility, and diarrheogenic effects.Both the C-15 and C-16 configurations were found to be critical for the biological activities.These studies indicate that the introduction of the methyl and methoxy groups at C-16 into the prostaglandin analogues markedly increases the ratio of antisecretory to diarrheogenic action.One of the PGE1 derivatives, 9f(15α,16R) (MDL 646, mexiprostil), was selected for further pharmacological evaluation and is currently under clinical investigation.

Ag+-CATALYZED OXIDATION OF ALKANONE CYANOHYDRINS BY PEROXYDISULFATE IONS: GENERATION AND REACTIONS OF 1-CYANOALKOXYL RADICALS

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