Ethyl (4-cyanophenyl)(oxo)acetate

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Names

[ CAS No. ]:
302912-31-8

[ Name ]:
Ethyl (4-cyanophenyl)(oxo)acetate

[Synonym ]:
MFCD01319614
ethyl 2-(4-cyanophenyl)-2-oxo-acetate
Ethyl (4-cyanophenyl)(oxo)acetate
(4-cyano-phenyl)-oxo-acetic acid ethyl ester
Ethyl 2-(4-cyanophenyl)-2-oxoacetate
ethyl (4-cyanophenyl)glyoxylate
Ethyl 4-cyanobenzoylformate
Benzeneacetic acid, 4-cyano-α-oxo-, ethyl ester
ethyl (4-cyanophenyl)-oxo-acetate

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
350.3±25.0 °C at 760 mmHg

[ Molecular Formula ]:
C11H9NO3

[ Molecular Weight ]:
203.194

[ Flash Point ]:
153.0±13.4 °C

[ Exact Mass ]:
203.058243

[ PSA ]:
67.16000

[ LogP ]:
1.45

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.536

[ Storage condition ]:
2-8°C

MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2926909090

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Ethylbenzonitrile
  • ethyl acetate

DownStream

  • ethyl 2-(4-cyanophenyl)-2-hydroxyacetate

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Harnessing Candida tenuis and Pichia stipitis in whole-cell bioreductions of o-chloroacetophenone: stereoselectivity, cell activity, in situ substrate supply and product removal.

Biotechnol. J. 8(6) , 699-708, (2013)

Generally, recombinant and native microorganisms can be employed as whole-cell catalysts. The application of native hosts, however, shortens the process development time by avoiding multiple steps of ...

Whole-cell bioreduction of aromatic alpha-keto esters using Candida tenuis xylose reductase and Candida boidinii formate dehydrogenase co-expressed in Escherichia coli.

Microb. Cell Fact. 7 , 37, (2008)

Whole cell-catalyzed biotransformation is a clear process option for the production of chiral alcohols via enantioselective reduction of precursor ketones. A wide variety of synthetically useful reduc...


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Related Compounds

  • ETHYL (4-BROMOANILINO)(OXO)ACETATE
  • Ethyl (4-bromophenyl)(oxo)acetate
  • ethyl [[(4-cyanophenyl)methyl]amino]acetate
  • Ethyl (4-oxo-1(4H)-pyridinyl)acetate
  • Ethyl [4-(methylsulfanyl)phenyl](oxo)acetate
  • ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate