159565
Diethyl 2-(2-cyanoethyl)malonate
96%
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About This Item
Linear Formula:
NCCH2CH2CH(CO2C2H5)2
CAS Number:
Molecular Weight:
213.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
241-260-7
MDL number:
Assay:
96%
Form:
liquid
InChI key
YJJLOESDBPRZIP-UHFFFAOYSA-N
InChI
1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
SMILES string
CCOC(=O)C(CCC#N)C(=O)OCC
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.)
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.
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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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)
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
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