Product Introduction
| 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 |
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| 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 |
| pka | 2.75±0.10(Predicted) |
| color | Clear colorless to very slightly yellow |
| Water Solubility | 54 g/L (20 ºC) |
| Sensitive | Light Sensitive |
| BRN | 773945 |
| Dielectric constant | 29.4(21℃) |
| LogP | -0.47 at 25℃ |
| CAS DataBase Reference | 105-34-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, cyano-, methyl ester(105-34-0) |
| EPA Substance Registry System | Acetic 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 |
| Toxicity | guinea pig,LDLo,skin,400mg/kg (400mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 920, 1986. |
| MSDS Information |
| Provider | Language |
|---|---|
| Methyl cyanoacetate | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Methyl cyanoacetate Usage And Synthesis |
| Description | Methyl 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 Properties | clear colorless to very slighlty yellow liquid |
| Uses | pharmaceutical intermediate |
| Uses | Methyl 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. |
| Definition | ChEBI: Methyl cyanoacetate is an alkyl cyanoacetate ester. |
| General Description | Methyl 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 Methods | Purify 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.] |
| Methyl cyanoacetate Preparation Products And Raw materials |
| Raw materials | Ethyl cyanoacetate-->Sodium cyanide-->Methyl chloroacetate |
| Preparation Products | 2-Cyanoacetamide-->Buspirone-->2,2-Dibromo-2-cyanoacetamide-->METHYL 2-AMINO-4-PHENYLTHIOPHENE-3-CARBOXYLATE-->2-AMINO-5-ETHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER-->METHYL 5-AMINOISOXAZOLE-4-CARBOXYLATE-->5-AMINO-3-METHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER-->2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER-->Solvent Red 196-->CYANOACRYLIC ACID METHYL ESTER-->Minoxidil-->2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER-->4-Chloro-2,6-diaminopyrimidine-->2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER-->Methyl 2-aminothiophene-3-carboxylate-->2,4-Diamino-6-hydroxypyrimidine-->METHYL 2-CHLORONICOTINATE-->4-Amino-6-chloropyrimidine-->BASIC YELLOW 40-->N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone-->methyl 2-cyano-3-ethoxyacrylate-->METHYL 2-CYANO-2-PROPYLPENTANOATE |
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