5-Nitroisoquinoline

Base Information

• Chemical Name: 5-Nitroisoquinoline
• CAS No.: 607-32-9
• Molecular Formula: C9H6N2O2
• Molecular Weight: 174.159
• Hs Code.: 29334900
• European Community (EC) Number: 210-133-8
• NSC Number: 3017
• DSSTox Substance ID: DTXSID00209511
• Nikkaji Number: J74D
• Wikidata: Q238550
• ChEMBL ID: CHEMBL353253
• Mol file: 607-32-9.mol

Synonyms:5-nitroisoquinoline;5-nitroquinoline

Chemical Property of 5-Nitroisoquinoline

Chemical Property:

• Appearance/Colour: light yellow crystal powder
• Vapor Pressure: 0.000168mmHg at 25°C
• Melting Point: 106-109 °C(lit.)
• Refractive Index: 1.682
• Boiling Point: 340.5 °C at 760 mmHg
• PKA: 3.55±0.13(Predicted)
• Flash Point: 159.7 °C
• PSA: 58.71000
• Density: 1.354 g/cm³
• LogP: 2.66620
• Storage Temp.: Store below +30°C.
• XLogP3: 1.9
• 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:

98%, ^*data from raw suppliers

5-Nitroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-38-20/21/22-40
• Safety Statements: 26-37/39-36/37/39-36-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2)C(=C1)[N+](=O)[O-]
• Uses: 5-Nitroisoquinoline (cas# 607-32-9) is a compound useful in organic synthesis. 5-Nitroisoquinoline was used to prepare a number of pyrroloisoquinolines.

Technology Process of 5-Nitroisoquinoline

There total 9 articles about 5-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: 100.0%

isoquinoline (119-65-3) → 5-nitroisoquinoline (607-32-9)

Guidance literature:

With sulfuric acid; potassium nitrate; at -15 - 20 ℃; for 3.3h;

DOI:10.1016/j.bioorg.2018.09.033

Reference yield: 79.0%

isoquinoline-5-carboxylic acid (27810-64-6) → 5-nitroisoquinoline (607-32-9)

Guidance literature:

With nitronium tetrafluoborate; silver carbonate; In N,N-dimethyl acetamide; at 90 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.5b02133

Reference yield: 15.0%

5-Nitroisoquinoline N-Oxide (57554-78-6) + acetic anhydride (108-24-7) + phthalide-3-carboxylic acid (708-14-5,62283-01-6,99266-05-4) → 5-nitroisoquinoline (607-32-9) + 3-(5-nitroisoquinolin-1-yl)isobenzofuran-1(3H)-one (129881-46-5) + 3-(2-acetoxy-5-nitro-1,2-dihydroisoquinolin-1-yl)isobenzofuran-1(3H)-one (129881-47-6,129881-55-6)

Guidance literature:

for 1h; Heating;

DOI:10.1071/CH9900375

upstream raw materials:

isoquinoline

N-(2-Cyanoethyl)-5-nitroisoquinolinium cation

5-Nitroisoquinoline N-Oxide

acetic anhydride

Downstream raw materials:

2-methyl-5-nitroisoquinolin-2-ium iodide

isoquinolin-5-ylamine

4-bromo-5-nitro-isoquinoline

2-benzoyl-5-nitro-1,2-dihydro-isoquinoline-1-carbonitrile

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 607-32-9 5-Nitroisoquinoline

Send

Send

Metric Ton KG G Pound L ML

Send

Send