Diethyl (1-cyano-3-methylbutyl)malonate

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Names

[ CAS No. ]:
186038-82-4

[ Name ]:
Diethyl (1-cyano-3-methylbutyl)malonate

[Synonym ]:
2-ethoxycarbonyl-3-cyano-5-methylhexanoic acid ethyl ester
QC-8850
2-carboxyethyl-3-cyano-5-methylhexanoic acid ethyl ester
2-carbethoxy-3-cyano-5-methylhexanoic acid ethyl ester
Diethyl (1-cyano-3-methylbutyl)malonate
1-cyano-3-Methylbutyl-Propanedioic acid diethyl ester
Diethyl (1-cyano-3-methylbutyl)malonate

Chemical & Physical Properties

[ Density]:
1.044g/cm3

[ Boiling Point ]:
355.712ºC at 760 mmHg

[ Molecular Formula ]:
C13H21NO4

[ Molecular Weight ]:
255.31000

[ Flash Point ]:
155.412ºC

[ Exact Mass ]:
255.14700

[ PSA ]:
76.39000

[ LogP ]:
1.91468

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.449

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (R)-2-ethoxycarbonyl-3-cyano-5-methylhexanoic acid ethyl ester
  • Propanedioic acid,2-(3-methylbutylidene)-, 1,3-diethyl ester
  • Sodium cyanide
  • sodium cyanide
  • Trimethylsilyl cyanide

DownStream

  • Pregabalin

Related Compounds

  • diethyl (1-methylbutyl)malonate
  • Diethyl (3-methylbutyl)malonate
  • N-(1-cyano-3-methylbutyl)acetamide
  • (S)-methyl (1-cyano-3-methylbutyl)carbamate
  • methyl ((S)-1-cyano-3-methylbutyl)((S)-2-(methoxymethyl)pyrrolidin-1-yl)carbamate
  • Carbamic acid, (1-cyano-3-methylbutyl)-, 1,1-dimethylethyl ester (9CI)