5-Nitroisoquinoline-1-carbonitrile

Base Information

Chemical Name:5-Nitroisoquinoline-1-carbonitrile
CAS No.:70538-52-2
Molecular Formula:C₁₀H₅N₃O₂
Molecular Weight:199.169
Hs Code.:
DSSTox Substance ID:DTXSID20500411
Wikidata:Q72494928
Mol file:70538-52-2.mol

Synonyms:5-nitroisoquinoline-1-carbonitrile;70538-52-2;SCHEMBL3938268;DTXSID20500411;CXMWANYGFSNUEC-UHFFFAOYSA-N;AKOS015951469

Suppliers and Price of 5-Nitroisoquinoline-1-carbonitrile

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 3 raw suppliers

Chemical Property of 5-Nitroisoquinoline-1-carbonitrile

Chemical Property:

PSA：82.50000
Density:1.43±0.1 g/cm3 (20 oC 760 Torr)
LogP:2.53788
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:199.038176411
Heavy Atom Count:15
Complexity:304

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=CN=C2C#N)C(=C1)[N+](=O)[O-]

Technology Process of 5-Nitroisoquinoline-1-carbonitrile

There total 4 articles about 5-Nitroisoquinoline-1-carbonitrile 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: 72.0%

: 57554-78-6
5-Nitroisoquinoline N-Oxide

: 7677-24-9
trimethylsilyl cyanide

: 70538-52-2
5-nitroisoquinoline-1-carbonitrile

Guidance literature:: In neat (no solvent); at 130 ℃; for 0.0833333h; Wavelength; regioselective reaction; Sealed tube; Inert atmosphere; Microwave irradiation;
DOI:10.1002/adsc.201901103

Reference yield:

: 607-32-9
5-nitroisoquinoline

: 70538-52-2
5-nitroisoquinoline-1-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 15 h / 0 - 20 °C

2: neat (no solvent) / 0.08 h / 130 °C / Sealed tube; Inert atmosphere; Microwave irradiation

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;
DOI:10.1002/adsc.201901103