933-45-9

Basic information

• Product Name: 1-hydroxy-4-methylcyclohexanecarbonitrile
• Synonyms: 1-hydroxy-4-methylcyclohexanecarbonitrile
• CAS NO: 933-45-9
• Molecular Weight: 139.197
• Mol File: 933-45-9.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1-hydroxy-4-methylcyclohexanecarbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-hydroxy-4-methylcyclohexanecarbonitrile(933-45-9)
• EPA Substance Registry System: 1-hydroxy-4-methylcyclohexanecarbonitrile(933-45-9)

Safety Data

• Hazardous Substances Data: 933-45-9(Hazardous Substances Data)

Usage

Appearance

White solid the compound has a pale, opaque, and crystalline appearance.

Molecular weight

139.2 g/mol the mass of one mole of 1-hydroxy-4-methylcyclohexanecarbonitrile.

Uses

Intermediate in synthesis commonly used as an intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds.

Building block

Organic synthesis serves as a fundamental component in creating more complex organic molecules.

Toxicity

Potential toxic effects the compound is known to have possible harmful effects on health and should be handled with caution.

Upstream product

• 64-17-5 ethanol 
• 74-90-8 hydrogen cyanide 
• 589-92-4 1-methylcyclohexan-4-one 
• 143-33-9 sodium cyanide 
• 151-50-8 potassium cyanide 
• 773837-37-9 sodium cyanide 
• 94092-43-0 1-hydroxy-4-methyl-cyclohexanecarboxylic acid-(4-methyl-cyclohex-1-enyl ester) 
• 589-91-3 p-methylcyclohexanol 

Downstream Products

• 74-90-8 hydrogen cyanide 
• 589-92-4 1-methylcyclohexan-4-one 
• 71980-90-0 ethyl (1-cyano-4-methylcyclohex-1-yl)cyanoacetate 
• 37022-22-3 1-Aminomethyl-4-methyl-cyclohexanol 
• 41248-15-1 1-hydroxy-4-methyl-cyclohexanecarboxylic acid 
• 41198-89-4 4-methylcyclohex-1-ene-1-carbonitrile 
• 1373019-04-5 4-methyl-1-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)cyclohexanol 
• 1373019-05-6 4-methyl-1-(5-phenyl-4H-1,2,4-triazol-3-yl)cyclohexanol 
• 75233-42-0 4-Methyl-1-[1-methyl-2-nitro-3-(tetrahydro-pyran-2-yloxy)-propyl]-cyclohex-2-enecarbonitrile 
• 75233-43-1 1-Cyano-1-(4-hydroxy-3-nitro-2-butyl)-4-methyl-2-cyclohexene 

Relevant articles and documents

Novel 4H-1,2,4-triazol-3-yl cycloalkanols as potent antitubercular agents

Enzymes of shikimate pathway, dehydroquinase and shikimate kinase represent comparatively newer targets for antitubercular research. Molecular hybridization approach was implemented by integrating the essential features of inhibitors acting on these enzymes of shikimate pathway. Considering the flexibility of alicyclic ring of reported dehydroquinase (DHQ) inhibitors and triazole ring, key feature of the virtual hits of Mtb shikimate kinase, a series of structurally novel, substituted 4H-1,2,4-triazol-3-yl cycloalkanols were designed as antimycobacterial agents. Docking studies of the molecules was carried out on the enzyme DHQ. All the synthesized compounds exhibited promising activity (MIC 0.59-15.5 μg/ml) against H37Rv strains of Mycobacterium tuberculosis using resazurin microtiter assay. Five of the evaluated compounds exhibit MIC 50 values indicate compounds are non-toxic, with selectivity indices >28. These compounds could serve as leads for further optimization to obtain novel antimycobacterial agents.

STEREOCHEMISTRY OF THE REMOTE OXIDATIVE CYANATION OF METHYLCYCLOHEXANONES

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