(4E)-4-[[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one

Names

[ CAS No. ]:
86759-01-5

[ Name ]:
(4E)-4-[[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one

[Synonym ]:
Phenol,4-(((4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-2-ethoxy
2-chloro-10-[4-(3-ethoxy-4-hydroxybenzylideneamino)piperazino]-10,11-dihydrodibenzo[b,f]thiepin

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
617.6ºC at 760mmHg

[ Molecular Formula ]:
C27H28ClN3O2S

[ Molecular Weight ]:
494.04800

[ Flash Point ]:
327.3ºC

[ Exact Mass ]:
493.15900

[ PSA ]:
70.11000

[ LogP ]:
5.42050

[ Index of Refraction ]:
1.693

Synthetic Route

Precursor & DownStream

Precursor

  • 2-chloro-10-(4-nitrosopiperazino)-10,11-dihydrodibenzo(b,f)thiepin
  • Ethyl vanillin
  • 10-(4-aminopiperazino)-2-chloro-10,11-dihydrodibenzo(b,f)thiepin

DownStream