ACETIC ACID, [3-[[5-CHLORO-3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]CYANO-, ETHYL ESTER

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Names

[ CAS No. ]:
55952-71-1

[ Name ]:
ACETIC ACID, [3-[[5-CHLORO-3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2-CYCLOHEXEN-1-YLIDENE]CYANO-, ETHYL ESTER

[Synonym ]:
Formamide,N-[3-(5-bromo-2-pyridinyl)-2-propynyl]
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InChI=1/C9H7BrN2O/c10-8-3-4-9(12-6-8)2-1-5-11-7-13/h3-4,6-7H,5H2,(H,11,13)
[3-(5-chloro-3-ethyl-3H-benzothiazol-2-ylidenemethyl)-cyclohex-2-enylidene]-cyano-acetic acid ethyl ester
[3-(5-bromopyridin-2-yl)prop-2-yn-1-yl]formamide

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Boiling Point ]:
524.4ºC at 760 mmHg

[ Molecular Formula ]:
C21H21ClN2O2S

[ Molecular Weight ]:
400.92200

[ Flash Point ]:
270.9ºC

[ Exact Mass ]:
400.10100

[ PSA ]:
83.26000

[ LogP ]:
4.93128

[ Index of Refraction ]:
1.658

Synthetic Route

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Precursor & DownStream

Precursor

  • 5-chloro-3-ethyl-2-(3-methoxy-cyclohex-2-enylidenemethyl)-benzothiazolium, iodide
  • Ethyl cyanoacetate

DownStream

Related Compounds

  • 5-Bromo-2-({1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl}oxy)pyrimidine
  • 5-Bromo-2-{[1-(thian-4-yl)piperidin-4-yl]oxy}pyrimidine
  • 5-Chloro-2-({1-[(2,6-difluorophenyl)methyl]piperidin-4-yl}oxy)pyrimidine
  • 3-(4-{[4-(4-Methylpiperazin-1-yl)but-2-yn-1-yl]oxy}piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
  • 2-(4-{[4-(4-Methylpiperazin-1-yl)but-2-yn-1-yl]oxy}piperidin-1-yl)-4-(trifluoromethyl)pyrimidine
  • 1-Methyl-4-{4-[(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)oxy]but-2-yn-1-yl}piperazine
  • 4-Ethyl-6-(4-{[4-(4-methylpiperazin-1-yl)but-2-yn-1-yl]oxy}piperidin-1-yl)pyrimidine
  • 4-{3-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}thiomorpholine
  • 2-[3-(2H-1,2,3-triazol-2-yl)azetidin-1-yl]-3-(trifluoromethyl)pyridine
  • 2-(thiomorpholin-4-yl)-5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
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