6914-79-0

Basic information

• Product Name: 1-Cyano-1-cyclopropanecarboxylic acid
• Synonyms: 1-CYANO-1-CYCLOPROPANECARBOXYLIC ACID;1-CYANOCYCLOPROPANECARBOXYLIC ACID;TIMTEC-BB SBB006670;1-Cyanocyclopropane-1-carboxylic acid;1-CYANO-1-CYCLOPROPANECARBOXYLIC ACID, 9 7%;1-Cyanocycllopropanecarboxylic Acid;1-cyanocyclopropanecarboxylic acid(SALTDATA: FREE);1-Cyano-1-cyclopropanecarboxylic acid 97%
• CAS NO: 6914-79-0
• Molecular Formula: C₅H₅NO₂
• Molecular Weight: 111.1
• Product Categories: C1 to C5;Carbonyl Compounds;Carboxylic Acids;Building Blocks;C1 to C5;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 6914-79-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 140 °C(lit.)
• Boiling Point: 142 °C
• Flash Point: 150.3°C
• Appearance: /
• Density: 1.3113 (rough estimate)
• Vapor Pressure: 4.8E-05mmHg at 25°C
• Refractive Index: 1.4260 (estimate)
• Storage Temp.: 2-8°C
• PKA: 2.31±0.20(Predicted)
• CAS DataBase Reference: 1-Cyano-1-cyclopropanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Cyano-1-cyclopropanecarboxylic acid(6914-79-0)
• EPA Substance Registry System: 1-Cyano-1-cyclopropanecarboxylic acid(6914-79-0)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-27-36/37/39-45-25
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 6914-79-0(Hazardous Substances Data)

Usage

Uses

1-Cyano-1-cyclopropanecarboxylic acid may be used in the synthesis of amidine-based nanomolar sphingosine kinase1 subtype-selective inhibitors.

General Description

1-Cyano-1-cyclopropanecarboxylic acid (1-Cyanocyclopropanecarboxylic acid) is a substituted cyclopropane. It is the intermediate formed during homoconjugate addition of nucleophiles to cyclopropane-1,1-dicarboxylate derivative.

InChI:InChI=1/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)/p-1

Upstream product

• 1558-81-2 1-carbethoxy-1-cyanocyclopropane 
• 6914-73-4 methyl 1-cyanocyclopropanecarboxylate 

Downstream Products

• 6914-73-4 methyl 1-cyanocyclopropanecarboxylate 
• 602303-01-5 1-[(1-cyanocyclopropyl)carbonyl]pyrrolidine 
• 98730-77-9 1-hydroxymethyl-cyclopropanecarbonitrile 
• 1428555-89-8 N-(2-aminophenyl)-1-cyanocyclopropanecarboxamide 
• 6914-74-5 1-aminocarbonylcyclopropanecarboxylic acid 
• 598-10-7 cyclopropane-1,1-dicarboxylic acid 
• 148332-48-3 benzyl 1-cyanocyclopropane-1-carboxylate 
• 88157-18-0 1-formylcyclopropanecarboxylic acid 

Relevant articles and documents

BTK Inhibitors and uses thereof

The invention discloses a bruton's tyrosine kinase (BTK) inhibitor and use thereof. Specifically, the invention provides heteroaromatic compounds or stereoisomers, geometrical isomers, tautomers, racemates, nitrogen oxides, hydrates, solvates, metabolites and pharmaceutically acceptable salts or prodrugs thereof, and pharmaceutical compositions containing the heteroaromatic compounds; the invention also discloses use of the heteroaromatic compounds or the pharmaceutical compositions containing the heteroaromatic compounds in preparation of medicines; the medicines can be used for treating autoimmune diseases, inflammatory diseases or proliferative diseases.

Synthesis, crystal structure and biological activity of 1-cyano-N-phenylcyclopropanecarboxamide

A cyclopropane derivative, 1-cyano-N-phenylcyclopropanecarboxamide (C 11H10N2O) was synthesized and its structure was studied by X-ray diffraction, FTIR, 1H NMR spectrum and MS. The crystals are monoclinic, space group Pbc

Synthesis, crystal structure and biological activity of 1-Cyano-N-(4-bromophenyl)cyclopropanecarboxamide

A cyclopropane derivative, 1-cyano-N-(4-bromophenyl)cyclopropanecarboxamide (C11H9N2OBr) was synthesized and its structure was studied by X-ray diffraction, FTIR, 1H NMR spectrum and MS. The crystal is triclinic, space group P-1 with α = 8.902(4), β = 10.