7-Nitroisoquinoline

Base Information

• Chemical Name: 7-Nitroisoquinoline
• CAS No.: 13058-73-6
• Molecular Formula: C₉H₆N₂O₂
• Molecular Weight: 174.159
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10480874
• Nikkaji Number: J149.839H
• Wikidata: Q72494921
• Mol file: 13058-73-6.mol

Synonyms:7-nitroisoquinoline;13058-73-6;Isoquinoline, 7-nitro-;7-Nitro-isoquinoline;SCHEMBL1828850;DTXSID10480874;NYHHIPIPUVLUFF-UHFFFAOYSA-N;MFCD09264588;AKOS006330513;AC-9599;AM807233;DS-14010;SY021175;CS-0131688;FT-0720336;A26454;EN300-108431

Chemical Property of 7-Nitroisoquinoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 177-178 °C
• Boiling Point: 353.325 °C at 760 mmHg
• PKA: 3.61±0.10(Predicted)
• Flash Point: 167.485 °C
• PSA: 58.71000
• Density: 1.354 g/cm³
• LogP: 2.66620
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.042927438
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

7-Nitroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN=C2)[N+](=O)[O-]

Technology Process of 7-Nitroisoquinoline

There total 15 articles about 7-Nitroisoquinoline 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: 91.0%

7-nitro-3,4-dihydroisoquinoline (62541-59-7) → 7-nitroisoquinoline (13058-73-6)

Guidance literature:

With manganese(IV) oxide; In toluene; for 2h; Inert atmosphere; Reflux;

DOI:10.1021/ja202103e

Reference yield: 66.0%

7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride (99365-69-2) → 7-nitroisoquinoline (13058-73-6)

Guidance literature:

With potassiuim nitrosodisulfonate; sodium carbonate; In water; at 20 ℃; for 168h;

DOI:10.1002/chem.200801868

Reference yield: 55.0%

→ 7-nitroisoquinoline (13058-73-6)

Guidance literature:

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

7-nitro-3,4-dihydroisoquinoline

7-nitro-1,2,3,4-tetrahydroisoquinoline

7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Downstream raw materials:

7-aminoisoquinoline

N-(4-isopropyl-3-methylphenyl)-2-(isoquinolin-7-ylamino)nicotinamide

N-(4-isopropyl-3-methylphenyl)-2-(isoquinolin-7-ylamino)nicotinamide

C₁₇H₁₄F₃N₃

Refernces

• 1、 Indu, Satrajit,Kaliappan, Krishna P.,Telore, Rahul D.. "Construction of key building blocks towards the synthesis of cortistatins". . p. 2432 - 2446. Retrieved 2020/04/22.
• 2、 -. "Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents". Page/Page column 307. . Retrieved 2015/11/16.