methyl cyanoacetate

CAS No. 105-34-0

Formula: C4H5NO2
Basic Info

Methyl Cyanoacetate is often used as a nucleophile in the electrochemical oxidation of catechols. Methyl Cyanoacetate is also a reagent in the synthesis of Methyl 2-Amino-4-trifluoromethylthiophene-3-carboxylate; a compound used in the synthesis of DPP-IV inhibitors for treating type 2 diabetes.

Formula
C4H5NO2
Molecular Weight
99.088
Exact Mass
99.032
LogP
0.07308
PSA
50.09
Synonyms

Cyanoacetic Acid Methyl Ester

Methyl cyanoacetate

methyl 2-cyanoacetate

Acetic acid, cyano-, methyl ester

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Properties
Appearance & Physical State
clear colorless to very slighlty yellow liquid
Density
1.123
Boiling Point
204-207ºC
Melting Point
-13ºC
Flash Point
>230oF
Refractive Index
1.417-1.419
Water Solubility
54 g/L (20 ºC)
Stability
Stable under normal temperatures and pressures.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Density
3.41 (vs air)
Vapor Pressure
0.2 mm Hg ( 20 °C)
Safety Info
RTECS
AG4375000
Safety Statements
S24/25
WGK Germany
1
HS Code
2926909090
RIDADR
UN 3276
Hazard Class
6.1(b)
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
900.
Temperature Control
Method
temperature ramp
Comments
25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; T<sub>end</sub>: 180. C
Reference
Jung, A.Wichmann, K.-H.Kolb, M.VOC emission of polymeric packaging materialsLaborPraxis1999, 23, 9, 20-22.

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