3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene

Modify Date: 2026-08-17 18:26:10

3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene Structure
3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene structure
Common Name 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
CAS Number 70156-95-5 Molecular Weight 259.25700
Density 1.389g/cm3 Boiling Point 471.1ºC at 760 mmHg
Molecular Formula C14H13NO4 Melting Point N/A
MSDS N/A Flash Point 238.7ºC

 Names

Name 1,3-benzodioxol-5-yl(3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl)methanone

 Chemical & Physical Properties

Density 1.389g/cm3
Boiling Point 471.1ºC at 760 mmHg
Molecular Formula C14H13NO4
Molecular Weight 259.25700
Flash Point 238.7ºC
Exact Mass 259.08400
PSA 48.00000
LogP 1.82780
Index of Refraction 1.629
InChIKey UULBXGPTOFYQML-UHFFFAOYSA-N
SMILES O=C(c1ccc2c(c1)OCO2)N1OC2C=CC1CC2

 Synthetic Route

~%

3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene Structure

3-(1,3-Benzodio...

CAS#:70156-95-5

Learn More
Literature: Keck; Fleming Tetrahedron Letters, 1978 , vol. NO. 48, p. 4763 - 4766

 Precursor & DownStream

Precursor  2

DownStream  0

 Bioassay

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Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
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