5-(2-Nitropropyl)-1,3-benzodioxole

Base Information Edit

Chemical Name:5-(2-Nitropropyl)-1,3-benzodioxole
CAS No.:87095-03-2
Molecular Formula:C10H11 N O4
Molecular Weight:209.202
Hs Code.:
NSC Number:157704
DSSTox Substance ID:DTXSID80303283
Nikkaji Number:J1.953.983K
Mol file:87095-03-2.mol

Synonyms:5-(2-nitropropyl)-1,3-benzodioxole;87095-03-2;NSC157704;SCHEMBL2603486;DTXSID80303283;NSC-157704

Suppliers and Price of 5-(2-Nitropropyl)-1,3-benzodioxole

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 5-(2-Nitropropyl)-1,3-benzodioxole Edit

Chemical Property:

Vapor Pressure:8.68E-05mmHg at 25°C
Boiling Point:340.3°Cat760mmHg
Flash Point:160.4°C
Density:1.282g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:209.06880783
Heavy Atom Count:15
Complexity:240

Purity/Quality:: 99%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

Technology Process of 5-(2-Nitropropyl)-1,3-benzodioxole

There total 3 articles about 5-(2-Nitropropyl)-1,3-benzodioxole 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: 70.0%

: 5438-41-5,37629-56-4
2-nitro-1-(3,4-methylenedioxyphenyl)-1-propene

: 87095-03-2
5-(2-nitropropyl)benzo[d][1,3]dioxole

Guidance literature:: With sodium tetrahydroborate; In methanol; for 1h; Ambient temperature;

Reference yield:

: 5438-41-5
5-(2-nitroprop-1-enyl)benzo[d][1,3]dioxole

: 87095-03-2
5-(2-nitropropyl)benzo[d][1,3]dioxole

Guidance literature:: With sodium tetrahydroborate; silica gel; In chloroform; isopropyl alcohol; at 20 ℃; for 48h; Inert atmosphere;
DOI:10.1021/acs.orglett.0c03061

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 87095-03-2
5-(2-nitropropyl)benzo[d][1,3]dioxole

Guidance literature:: Multi-step reaction with 2 steps

1: hexan-1-amine / benzene / 24 h / Dean-Stark; Reflux

2: sodium tetrahydroborate; silica gel / chloroform; isopropyl alcohol / 48 h / 20 °C / Inert atmosphere

With sodium tetrahydroborate; hexan-1-amine; silica gel; In chloroform; isopropyl alcohol; benzene;
DOI:10.1021/acs.orglett.0c03061