All Photos(2)
About This Item
Linear Formula:
NCC3H4CO2H
CAS Number:
Molecular Weight:
111.10
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
97%
mp
140 °C (lit.)
SMILES string
OC(=O)C1(CC1)C#N
InChI
1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
InChI key
KSJJMSKNZVXAND-UHFFFAOYSA-N
Related Categories
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.
Application
1-Cyano-1-cyclopropanecarboxylic acid may be used in the synthesis of amidine-based nanomolar sphingosine kinase1 subtype-selective inhibitors.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Substituted cyclopropanes. 5. 1-Cyanocyclopropanecarboxylic acid.
Jones PG and Schrumpf G.
Acta Crystallographica Section C, Structural Chemistry, 43(8), 1576-1579 (1987)
Homoconjugate Addition of Nucleophiles to Cyclopropane-1, 1-Dicarboxylate Derivatives: 2-Oxo-1-Phenyl-3-Pyrrolidinecarboxylic Acid.
Singh RK and Danishefsky S.
Organic Syntheses, 66-66 null
Andrew J Kennedy et al.
Journal of medicinal chemistry, 54(10), 3524-3548 (2011-04-19)
Sphingosine 1-phosphate (S1P) is a bioactive lipid that has been identified as an accelerant of cancer progression. The sphingosine kinases (SphKs) are the sole producers of S1P, and thus, SphK inhibitors may prove effective in cancer mitigation and chemosensitization. Of
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