3-iodo-7-nitro-1H-indazole

Base Information

• Chemical Name: 3-iodo-7-nitro-1H-indazole
• CAS No.: 864724-64-1
• Molecular Formula: C7H4 I N3 O2
• Molecular Weight: 289.032
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80479937
• Nikkaji Number: J2.218.057F
• Wikidata: Q82314322
• Mol file: 864724-64-1.mol

Synonyms:3-iodo-7-nitro-1H-indazole;864724-64-1;3-Iodo-7-nitroindazole;3-iodo-7-nitro-2H-indazole;MFCD09027004;SCHEMBL3004143;DTXSID80479937;CVQKINXVUVZMJY-UHFFFAOYSA-N;AKOS015853982;PB14625;AS-33761;SY097455;CS-0051302;FT-0678219;EN300-1709573

Chemical Property of 3-iodo-7-nitro-1H-indazole

Chemical Property:

• Vapor Pressure: 3.87E-08mmHg at 25°C
• Refractive Index: 1.818
• Boiling Point: 458°C at 760 mmHg
• Flash Point: 230.8°C
• PSA: 74.50000
• Density: 2.24g/cm³
• LogP: 2.59890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 288.93482
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-7-nitro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])I

Technology Process of 3-iodo-7-nitro-1H-indazole

There total 1 articles about 3-iodo-7-nitro-1H-indazole 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: 45.0%

1-toluenesulfonyl-3-iodo-7-nitroindazole + 4-methoxyphenylboronic acid (5720-07-0) → 3-iodo-7-nitro-1H-indazole (864724-64-1) + 3-(4-methoxyphenyl-1-yl)-7-nitro-1H-indazole (874297-12-8)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; for 2h; Heating;

DOI:10.1016/j.bmc.2005.09.037

Reference yield: 91.0%

3-iodo-7-nitro-1H-indazole (864724-64-1) + p-methoxybenzyl chloride (824-94-2) → 3-iodo-7-nitro-1-(4-methoxybenzyl)-1H-indazole (874297-14-0)

Guidance literature:

With potassium hydroxide; In acetone; at 0 ℃; for 2h;

Reference yield: 76.0%

3-iodo-7-nitro-1H-indazole (864724-64-1) + ethanol (64-17-5) + 4-methoxy-phenyl-sulphonyl chloride (98-68-0) → N-(4-ethoxy-3-iodo-1H-7-indazolyl)-4-methoxybenzenesulfonamide

Guidance literature:

3-iodo-7-nitro-1H-indazole; ethanol; With tin(ll) chloride; at 60 ℃;

4-methoxy-phenyl-sulphonyl chloride; In pyridine;

DOI:10.1080/00397911003707212

upstream raw materials:

4-methoxyphenylboronic acid

Downstream raw materials:

1-N-tert-butyl-oxycarbonyl-3-iodo-7-nitroindazole

3-iodo-7-nitro-1-(4-methoxybenzyl)-1H-indazole

3-(4-methoxyphenyl-1-yl)-7-nitro-1H-indazole

3‐(4‐methoxyphenyl)‐1‐methyl‐7‐nitro‐1H‐indazole