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Sigma-Aldrich

1-Cyano-1-cyclopropanecarboxylic acid

97%

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About This Item

Linear Formula:
NCC3H4CO2H
CAS Number:
6914-79-0
Molecular Weight:
111.10
MDL number:
MFCD00190651
UNSPSC Code:
12352100
PubChem Substance ID:
24861156
NACRES:
NA.22

Assay

97%

mp

140 °C (lit.)

functional group

carboxylic acid

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

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.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312 + H332,H314

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ7543
MKCP9853
MKCM0031
MKCD6342
MKCC9272

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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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