[3,4-diacetyloxy-5-(5-aziridin-1-yl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)oxolan-2-yl]methyl acetate

Modify Date: 2025-08-31 17:27:48

[3,4-diacetyloxy-5-(5-aziridin-1-yl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)oxolan-2-yl]methyl acetate Structure
[3,4-diacetyloxy-5-(5-aziridin-1-yl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)oxolan-2-yl]methyl acetate structure
Common Name [3,4-diacetyloxy-5-(5-aziridin-1-yl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)oxolan-2-yl]methyl acetate
CAS Number 79974-30-4 Molecular Weight 419.38900
Density 1.61g/cm3 Boiling Point 583.7ºC at 760mmHg
Molecular Formula C18H21N5O7 Melting Point N/A
MSDS N/A Flash Point 306.8ºC

 Names

Name [3,4-diacetyloxy-5-[4-(aziridin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate

 Chemical & Physical Properties

Density 1.61g/cm3
Boiling Point 583.7ºC at 760mmHg
Molecular Formula C18H21N5O7
Molecular Weight 419.38900
Flash Point 306.8ºC
Exact Mass 419.14400
PSA 134.74000
LogP 0.03520
InChIKey FSPQTMFJRTXRNW-UHFFFAOYSA-N
SMILES CC(=O)OCC1OC(n2ncc3c(N4CC4)ncnc32)C(OC(C)=O)C1OC(C)=O

 Synthetic Route

~92%

[3,4-diacetyloxy-5-(5-aziridin-1-yl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)oxolan-2-yl]methyl acetate Structure

[3,4-diacetylox...

CAS#:79974-30-4

Literature: Bhat, Ganapati A.; Townsend, Leroy B. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 2387 - 2393
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