5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole

Base Information Edit

Chemical Name:5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole
CAS No.:5438-41-5
Molecular Formula:C10H9NO4
Molecular Weight:207.186
Hs Code.:2932999099
NSC Number:65667,16685
Nikkaji Number:J3.191.111G
ChEMBL ID:CHEMBL1632546
Mol file:5438-41-5.mol

5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole

Synonyms:5-(2-nitro-1-propenyl)-1,3-benzodioxole;SXT1596

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole Edit

Chemical Property:

Vapor Pressure:0.000215mmHg at 25°C
Melting Point:94-96 °C
Refractive Index:1.62
Boiling Point:336.7 °C at 760 mmHg
Flash Point:160.7 °C
PSA：64.28000
Density:1.343 g/cm³
LogP:2.57600
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:207.05315777
Heavy Atom Count:15
Complexity:284

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 23/24/25-36/37/38
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]
Isomeric SMILES:C/C(=C\C1=CC2=C(C=C1)OCO2)/[N+](=O)[O-]
Uses A byproduct of 3,4-Methylenedioxy Methamphetamine (M303985). Inhibitor of the hepatic microsomal enxzyme function in mice.

Technology Process of 5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole

There total 15 articles about 5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%