5-(2-Nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline

Base Information

Chemical Name:5-(2-Nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline
CAS No.:73903-40-9
Molecular Formula:C₁₇H₁₄N₂O₄
Molecular Weight:310.309
Hs Code.:
NSC Number:114926
DSSTox Substance ID:DTXSID30297244
Wikidata:Q82038254

Synonyms:73903-40-9;5-(2-nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline;NSC114926;SCHEMBL11452530;DTXSID30297244;NSC-114926

Suppliers and Price of 5-(2-Nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline

Supply Marketing:

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-Nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline

Chemical Property:

Vapor Pressure:4.84E-09mmHg at 25°C
Melting Point:165 °C
Boiling Point:483.7±45.0 °C(Predicted)
PKA:5.92±0.20(Predicted)
Density:1.44±0.1 g/cm3(Predicted)
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:310.09535693
Heavy Atom Count:23
Complexity:490

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN=C(C2=CC3=C(C=C21)OCO3)CC4=CC=CC=C4[N+](=O)[O-]

Technology Process of 5-(2-Nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline

There total 7 articles about 5-(2-Nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline 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:

: 73903-39-6
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-(2-nitrophenyl)acetamide

: 73903-40-9
5-(2-nitro-benzyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

Guidance literature:: With trichlorophosphate; In acetonitrile; for 2h; Reflux;
DOI:10.1039/c8ra05338c DOI:10.1039/d1ra05671a

Reference yield:

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

: 73903-40-9
5-(2-nitro-benzyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

Guidance literature:: Multi-step reaction with 4 steps

1.1: ethylenediamine / 5 h / Reflux

2.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

3.1: potassium carbonate / dichloromethane; water / 0 - 5 °C

3.2: 2 h / 0 - 5 °C

4.1: trichlorophosphate / acetonitrile / 2 h / Reflux

With lithium aluminium tetrahydride; potassium carbonate; ethylenediamine; trichlorophosphate; In tetrahydrofuran; dichloromethane; water; acetonitrile; 4.1: |Bischler-Napieralski Reaction;
DOI:10.1039/c8ra05338c

Reference yield:

: 1485-00-3,22568-48-5
5-((E)-2-nitroethenyl)-1,3-benzodioxole

: 73903-40-9
5-(2-nitro-benzyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

2.1: potassium carbonate / dichloromethane; water / 0 - 5 °C

2.2: 2 h / 0 - 5 °C

3.1: trichlorophosphate / acetonitrile / 2 h / Reflux

With lithium aluminium tetrahydride; potassium carbonate; trichlorophosphate; In tetrahydrofuran; dichloromethane; water; acetonitrile; 3.1: |Bischler-Napieralski Reaction;
DOI:10.1039/c8ra05338c