37107-50-9

Basic information

• Product Name: CYCLOHEXYLIDENECYANOACETIC ACID
• Synonyms: CYCLOHEXYLIDENECYANOACETIC ACID;LABOTEST-BB LT00454906;2-CYANO-2-CYCLOHEXYLIDENEACETIC ACID;cyanocyclohexylideneacetic acid;Cyclohexylidenecyanoaceticacid,97%;Acetic acid, 2-cyano-2-cyclohexylidene-
• CAS NO: 37107-50-9
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19
• EINECS: 253-351-9
• Mol File: 37107-50-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 107-109°C
• Boiling Point: 353.9 °C at 760 mmHg
• Flash Point: 167.8 °C
• Appearance: /
• Density: 1.211 g/cm³
• Vapor Pressure: 5.84E-06mmHg at 25°C
• Refractive Index: 1.537
• BRN: 1950877
• CAS DataBase Reference: CYCLOHEXYLIDENECYANOACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: CYCLOHEXYLIDENECYANOACETIC ACID(37107-50-9)
• EPA Substance Registry System: CYCLOHEXYLIDENECYANOACETIC ACID(37107-50-9)

Safety Data

• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 37107-50-9(Hazardous Substances Data)

Usage

General Description

CYCLOHEXYLIDENECYANOACETIC ACID, also known as CCA, is a chemical compound with the molecular formula C9H11NO2. It is a carboxylic acid derivative with a unique cyclohexylidene ring and a cyano group attached to the alpha carbon. CCA is used as a precursor in the synthesis of various pharmaceuticals and biologically active compounds. It is also employed as a reagent in organic chemical reactions, particularly in the preparation of heterocyclic compounds. CCA has potential applications in the fields of medicinal chemistry, agrochemicals, and material science due to its versatile reactivity and structural features. However, it is important to handle CCA with care, as it can be hazardous if not properly managed.

InChI:InChI=1/C9H11NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H,11,12)

Upstream product

• 108-94-1 cyclohexanone 
• 372-09-8 cyanoacetic acid 
• 105-56-6 ethyl 2-cyanoacetate 
• 1352994-38-7 3-amino-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carbonitrile 
• 4354-73-8 2-(cyclohexylidene)malononitrile 

Downstream Products

• 6802-76-2 ethyl 2-cyano-2-cyclohexylideneacetate 
• 6975-71-9 1-cyclohexenylacetonitrile 
• 76734-94-6 C₁₂H₁₉NO₂Si 
• 113001-98-2 2-cyanocyclohexylideneacetyl chloride 
• 108-94-1 cyclohexanone 
• 154199-05-0 Cyano-cyclohexylidene-acetyl azide 
• 113001-99-3 2-cyanocyclohexylideneacetyl isothiocyanate 
• 113002-01-0 N-(4-methylphenyl)-N'-2-cyanocyclohexylideneacetylthiourea 
• 113002-03-2 1-phenyl-5-cyano-4-oxo-2-thioxo-1,3-diazaspiro<5,5>undecane 
• 113002-04-3 1-(4-methylphenyl)-5-cyano-4-oxo-2-thioxo-1,3-diazaspiro<5,5>undecane 
• 113002-09-8 5-cyano-2-methylphenylamino-4-oxo-1-thia-3-azaspiro<5,5>undec-2-ene 
• 113002-02-1 N-(4-methoxyphenyl)-N'-2-cyanocyclohexylideneacetylthiourea 
• 113002-06-5 1-(4-hydroxyphenyl)-5-cyano-4-oxo-2-thioxo-1,3-diazaspiro<5,5>undecane 
• 113002-08-7 1-(4-bromophenyl)-5-cyano-4-oxo-2-thioxo-1,3-diazaspiro<5,5>undecane 

Relevant articles and documents

Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles

α,α-Dicyanoolefins react with hydroxylamine to afford 2,3-dihydroisoxazoles (2,3-dihydroisoxazoles can be easily isolated by filtration) in excellent yields under mild and environmentally benign conditions. A one-pot reaction in tandem with an unexpected ring-opening of 2,3-dihydroisoxazoles has been developed as well.

Method for making bicycle lactones from beta, gamma unsaturated cyclic nitriles

A method for making a bicyclic lactone comprising heating under aqueous acidic conditions a beta, gamma unsaturated cyclic nitrile and an aldehyde, for a length of time sufficient to convert at least a portion of the reactants to a bicyclic lactone of the formula STR1 wherein R3 is --H; R4, R5, and R6 are independently selected from the group consisting of --H, --CH3 ; R2 is selected from the group consisting of --H, --CH3, and --CH3, and --C2 H5 ; R8 is --H or --CH3 ; m is an integer from 1 to 5; o is 0, 1, 2, or 3; and p is 0, 1, or 2; provided that the sum of m+o+p is an integer from 3 to 5; either R3 or R8 together with R7 represents a carbon-carbon bond. The method uses commercially available and relatively inexpensive raw materials as reactants.

LONG-ACTING CONTRACEPTIVE AGENTS: LEVONORGESTREL ESTERS OF UNSATURATED ACIDS

Esters of levonorgestrel (13β-ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one) with a variety of unsaturated carboxylic acids have been synthesized for evaluation as potential long-acting, injectable contraceptive agents.