tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate

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Names

[ CAS No. ]:
112968-38-4

[ Name ]:
tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate

[Synonym ]:
tert-Butyl 2-((2S,6R)-6-amino-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetate

Chemical & Physical Properties

[ Density]:
1.224

[ Boiling Point ]:
525.1ºC at 760 mmHg

[ Melting Point ]:
81-82ºC

[ Molecular Formula ]:
C15H22N2O3S2

[ Molecular Weight ]:
342.47700

[ Flash Point ]:
271.4ºC

[ Exact Mass ]:
342.10700

[ PSA ]:
126.17000

[ LogP ]:
2.67180

[ Vapour Pressure ]:
4.04E-11mmHg at 25°C

[ Index of Refraction ]:
1.563

Synthetic Route

Precursor & DownStream

Precursor

  • tert-butyl 2-((2S,6R)-6-((tert-butoxycarbonyl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetate
  • tert-butyl 2-((2S,6R)-5-oxo-2-(thiophen-2-yl)-6-(tritylamino)-1,4-thiazepan-4-yl)acetate
  • Di-tert-butyl dicarbonate
  • 2-Methyl-2-propanyl bromoacetate
  • (2R,6R)-6-AMINO-5-OXO-2-(2-THIENYL)PERHYDRO-1,4-THIAZEPINE
  • (2R,6R)-2-(thiophen-2-yl)-6-(tritylamino)-1,4-thiazepan-5-one
  • (R)-tert-butyl 2-(5-oxo-2-(thiophen-2-yl)-6-(tritylamino)-6,7-dihydro-1,4-thiazepin-4(5H)-yl)acetate
  • tert-butyl 2-((2R,6R)-5-oxo-2-(thiophen-2-yl)-6-(tritylamino)-1,4-thiazepan-4-yl)acetate

DownStream

  • Temocapril