3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Modify Date: 2024-01-11 13:01:28

3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Structure
3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure
Common Name 3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CAS Number 5662-91-9 Molecular Weight 398.90900
Density 1.37g/cm3 Boiling Point 638.6ºC at 760 mmHg
Molecular Formula C20H19ClN4OS Melting Point N/A
MSDS N/A Flash Point 340ºC

 Names

Name 3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 638.6ºC at 760 mmHg
Molecular Formula C20H19ClN4OS
Molecular Weight 398.90900
Flash Point 340ºC
Exact Mass 398.09700
PSA 85.23000
LogP 5.72530
Index of Refraction 1.676

 Synthetic Route

~88%

3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Structure

3-butylsulfanyl...

CAS#:5662-91-9

Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda S.; KOTIAN, Pravin L.; KUMAR, V. Satish; WU, Minwan; LIN, Tsu-Hsing Patent: WO2011/31554 A2, 2011 ; Location in patent: Page/Page column 173 ; WO 2011/031554 A1

~%

3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Structure

3-butylsulfanyl...

CAS#:5662-91-9

Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda S.; KOTIAN, Pravin L.; KUMAR, V. Satish; WU, Minwan; LIN, Tsu-Hsing Patent: WO2011/31554 A2, 2011 ; WO 2011/031554 A1

 Synonyms

1-Formyl-3-cyclopentyl-prop-1-en
4-cyclopentylbut-2-enal
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