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159565

Sigma-Aldrich

Diethyl 2-(2-cyanoethyl)malonate

96%

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About This Item

Linear Formula:
NCCH2CH2CH(CO2C2H5)2
CAS Number:
17216-62-5
Molecular Weight:
213.23
EC Number:
241-260-7
MDL number:
MFCD00001966
UNSPSC Code:
12352100
PubChem Substance ID:
24849822
NACRES:
NA.22

Assay

96%

form

liquid

refractive index

n20/D 1.436 (lit.)

bp

115-118 °C/2 mmHg (lit.)

density

1.078 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C(CCC#N)C(=O)OCC

InChI

1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3

InChI key

YJJLOESDBPRZIP-UHFFFAOYSA-N

General description

Diethyl 2-(2-cyanoethyl)malonate undergoes hydrothermal reaction with ZnCl2, NaN3 and NaOH to yield a new 1H-tetrazolate-5-butyrate coordination polymer.[1]

Application

Diethyl 2-(2-cyanoethyl)malonate was used in the synthesis of carbon-3-substituted 1,5,9-triazacyclododecanes, useful as RNA cleavage reagent for oligonucleotide tethering.[2]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

159565-VAR:
159565-25G:4548173108407
159565-BULK:
159565-5KG:
159565-5G:4548173108414

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Certificates of Analysis (COA)

Lot/Batch Number
STBF4794V
S32465
S32464
13507MU
04114KY

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J Hovinen
Bioconjugate chemistry, 9(1), 132-136 (1998-02-14)
Two derivatives of 1,5,9-triazacyclododecane bearing an alkylamino tether group at carbon-3 (7 and 13) were synthesized. The first of them, 7, was prepared starting from diethyl 2-(2-cyanoethyl)malonate and the second one, 13, from glycerol. In both cases, the cyclization reaction
A diamond metal-organic framework with in situ generated 1H-tetrazolate-5-butyric acid ligand: Crystal structure, photoluminescence and high thermal stability.
Wu M-F, et al.
Inorganic Chemistry Communications, 14(1), 333-336 (2011)

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