Methyl cyanoacetate

Methyl cyanoacetate
  • CAS No.:105-34-0
Other grades of this product :
Methyl cyanoacetate Basic information
Description
Product Name:Methyl cyanoacetate
Synonyms:2-cyanopropanoate;Tofacitinib Impurity 198;Pemetrexed disodium Impurity 12;25KG,100KG,1T;Methyl cyanoethanoate;methyl2-cyanoacetate;methylcyanoethanoate;Methylester kyseliny kyanoctove
CAS:105-34-0
MF:C4H5NO2
MW:99.09
EINECS:203-288-8
Product Categories:organic chemical;Piperazines;C2 to C5;Carbonyl Compounds;Esters
Mol File:105-34-0.mol
Methyl cyanoacetate Chemical Properties
Melting point -13 °C
Boiling point 204-207 °C(lit.)
density 1.123 g/mL at 25 °C(lit.)
vapor density 3.41 (vs air)
vapor pressure 0.2 mm Hg ( 20 °C)
refractive index n20/D 1.417(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility 54g/l
form Liquid
pka2.75±0.10(Predicted)
color Clear colorless to very slightly yellow
Water Solubility 54 g/L (20 ºC)
Sensitive Light Sensitive
BRN 773945
LogP-0.47 at 25℃
CAS DataBase Reference105-34-0(CAS DataBase Reference)
NIST Chemistry ReferenceAcetic acid, cyano-, methyl ester(105-34-0)
EPA Substance Registry SystemAcetic acid, cyano-, methyl ester (105-34-0)
Safety Information
Hazard Codes Xi
Safety Statements 24/25
WGK Germany 1
RTECS AG4375000
Hazard Note Irritant
TSCA Yes
HS Code 29269095
MSDS Information
ProviderLanguage
Methyl cyanoacetate English
SigmaAldrich English
ACROS English
ALFA English
Methyl cyanoacetate Usage And Synthesis
DescriptionMethyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It may be used in the synthesis of various 1,2,5-tricarbonyl compounds. It 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. In addition, it is an intermediate in the preparation of α-cyanoacrylate, malononitrile, and 1,1-cyclohexanediacetic acid dyes. It is used as UV absorber or stabilizer, intermediate for pharmaceuticals. It may be used in the synthesis of various 1,2,5-tricarbonyl compounds.
Chemical Propertiesclear colorless to very slighlty yellow liquid
Usespharmaceutical intermediate
UsesMethyl cyanoacetate is an intermediate in the preparation of α-cyanoacrylate, malononitrile, 1,1-cyclohexanediacetic acid dye. It is used as UV absorber or stabiliser, intermediate for pharmaceuticals. It may be used in the synthesis of various 1,2,5-tricarbonyl compounds.
General DescriptionMethyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It undergoes calcite or fluorite catalyzed Kn?venagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α-cyanocinnamic esters.
Purification MethodsPurify the ester by shaking with 10% Na2CO3 solution, wash well with water, dry with anhydrous Na2SO4, and distil it. [Beilstein 2 H 584, 2 I 253, 2 II 530, 2 III 1628, 2 IV 1889.]

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