| Identification | More | [Name]
Ethyl (ethoxymethylene)cyanoacetate | [CAS]
94-05-3 | [Synonyms]
2-CYANO-3-ETHOXY-2-PROPENOIC ACID ETHYL ESTER
2-CYANO-3-ETHOXYACRYLIC ACID ETHYL ESTER
2-(ETHOXYMETHYLENE)-2-CYANOACETIC ACID ETHYL ESTER
EMCAE
ETHOXY METHYLENE CYANOACETIC ACID ETHYL ESTER
ETHYL 2-CYANO-3-ETHOXYACRYLATE
ETHYL 2-(ETHOXYMETHYLENE)-2-CYANOACETATE
ETHYL (ETHOXYMETHYLENE)CYANOACETATE
2-cyano-3-ethoxy-2-propenoicaciethylester
2-Propenoicacid,2-cyano-3-ethoxy-,ethylester
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
Ethoxyl Methylene Cyanoacetic Ethyl
Ethyl-2-cyan-3-ethoxyacrylat
Ethyl (E)-2-cyano-3-ethoxyprop-2-enoate
2-Cyano-3-ethoxypropenoic acid ethyl ester
2-Ethoxymethylenecyanoacetic acid ethyl ester | [EINECS(EC#)]
202-299-5 | [Molecular Formula]
C8H11NO3 | [MDL Number]
MFCD00009136 | [Molecular Weight]
169.18 | [MOL File]
94-05-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystalline solid | [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) | [Detection Methods]
HPLC,GC,NMR | [BRN ]
878814 | [InChI]
1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+ | [InChIKey]
KTMGNAIGXYODKQ-VOTSOKGWSA-N | [SMILES]
CCO\C=C(/C#N)C(=O)OCC | [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]
94-05-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS06,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H301-H315-H317-H319-H334-H335 | [Precautionary statements ]
P261-P284-P301+P310a-P305+P351+P338-P405-P501a | [Hazard Codes ]
Xi,T,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
3276 | [WGK Germany ]
1
| [Hazard Note ]
Toxic | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [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. | [Synthesis]
a) General procedure for the preparation of ethyl 4-(2-cyano-2-ethoxycarbonylvinylamino)benzoate: triethyl orthoformate (33.3 mL, 0.2 mol) was mixed with ethyl cyanoacetate (21.3 mL, 0.2 mol) in acetic acid anhydride (80 mL), and the mixture was heated for 5 hr at 150-160 °C. Upon completion of the reaction, it was cooled to room temperature and the solvent was removed by distillation under reduced pressure to give ethyl 2-cyano-3-ethoxyacrylate as a yellow solid (28.5 g, 84% yield). | [References]
[1] Patent: US2006/4046, 2006, A1. Location in patent: Page/Page column 35
[2] Patent: WO2014/145986, 2014, A1. Location in patent: Paragraph 0274
[3] Arkivoc, 2017, vol. 2017, # 3, p. 73 - 86
[4] Phosphorus, Sulfur and Silicon and the Related Elements, 2006, vol. 181, # 3, p. 591 - 599
[5] Patent: US2012/277224, 2012, A1. Location in patent: Page/Page column 18 |
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