Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

28452

Sigma-Aldrich

Isopropyl cyanoacetate

≥98.0%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
NCCH2COOCH(CH3)2
CAS Number:
13361-30-3
Molecular Weight:
127.14
Beilstein/REAXYS Number:
1756014
EC Number:
236-421-3
MDL number:
MFCD00019842
UNSPSC Code:
12352100
PubChem Substance ID:
57648305
NACRES:
NA.22

assay

≥98.0%

refractive index

n20/D 1.416

bp

207 °C (lit.)

density

1.013 g/mL at 20 °C (lit.)

SMILES string

CC(C)OC(=O)CC#N

InChI

1S/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3

InChI key

BESQLCCRQYTQQI-UHFFFAOYSA-N

Application

Isopropyl cyanoacetate was used in the synthesis of 3-substituted coumarins by undergoing Knöevenagel reactions with aldehydes and ketones.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

197.6 °F - closed cup

flash_point_c

92 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
454483/1
401094/1
276230/1

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Use of isopropyl alcohol as a solvent in Ti (O-i-Pr)4 catalyzed Knoevenagel reactions.
Tetrahedron, 61(33), 7981-7985 (2005)

Articles

Knoevenagel Condensation Reaction

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service