Ethyl (ethoxymethylene)cyanoacetate

CAS No.：94-05-3

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Ethyl (ethoxymethylene)cyanoacetate Basic information

Product Name:	Ethyl (ethoxymethylene)cyanoacetate
Synonyms:	Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester;Ethyl (2E)-2-cyano-3-ethoxy-2-propenoate;Ethyl 3-ethoxy-2-cyanoacrylate;Ethyl alpha-(ethoxymethylene)-alpha-cyanoacetate;Ethyl cyano(ethoxymethylene)acetate;2-cyano-3-ethoxy-2-propenoicaciethylester;2-Propenoicacid,2-cyano-3-ethoxy-,ethylester;2-CYANO-3-ETHOXY-2-PROPENOIC ACID ETHYL ESTER
CAS:	94-05-3
MF:	C8H11NO3
MW:	169.18
EINECS:	202-299-5
Product Categories:	Aliphatic Compound;Pharmaceutical Intermediates;Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
Mol File:	94-05-3.mol

Ethyl (ethoxymethylene)cyanoacetate Chemical Properties

Melting point	49-51 °C(lit.)
Boiling point	190-191 °C30 mm Hg(lit.)
density	1.2435 (rough estimate)
refractive index	1.5100 (estimate)
Fp	>230 °F
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform, Methanol
form	Crystalline Mass or Crystals
color	White to yellow
Water Solubility	<0.01 g/L (20 ºC)
BRN	878814
LogP	1.376 at 25℃
CAS DataBase Reference	94-05-3(CAS DataBase Reference)
NIST Chemistry Reference	2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester(94-05-3)
EPA Substance Registry System	2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester (94-05-3)

Safety Information

Hazard Codes	Xi,T,Xn
Risk Statements	36/37/38-42/43-41-37/38-22
Safety Statements	26-37/39
RIDADR	3276
WGK Germany	1
Hazard Note	Toxic
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29269090

MSDS Information

Provider	Language
2-Cyano-3-ethoxy-2-propenoic acid ethyl ester	English
SigmaAldrich	English
ACROS	English
ALFA	English

Ethyl (ethoxymethylene)cyanoacetate Usage And Synthesis

Chemical Properties	white to light yellow crystalline solid
Uses	Ethyl Cyano(ethoxymethylene)acetate is an intermediate in the synthesis of anti-inflammatory agents with gastroprotective effect in rats.

Ethyl (ethoxymethylene)cyanoacetate Preparation Products And Raw materials

Raw materials

Ethyl cyanoacetate

Preparation Products

ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE-->5-HYDROXYMETHYLCYTOSINE-->Ethyl 3-amino-4-pyrazolecarboxylate-->4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID-->5-CARBOXYCYTOSINE-->4-AMINO-5-CARBOXY-2-ETHYL-MERCAPTOPYRIMIDINE-->Allopurinol-->1,4-Dicyanobenzene-->ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE-->PYRAZOLE-4-CARBOXYLIC ACID, 3-AMINO-1-METHYL-, ETHYL ESTER-->ethyl 2-cyano-3-ethoxycrotonate-->5-AMINO-4-CARBETHOXY-1-PHENYLPYRAZOLE

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