2-Amino-3-iodo-5-nitrobenzonitrile

Base Information

• Chemical Name: 2-Amino-3-iodo-5-nitrobenzonitrile
• CAS No.: 55160-45-7
• Molecular Formula: C7H4IN3O2
• Molecular Weight: 289.03003
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30581559
• Nikkaji Number: J62.883B
• Wikidata: Q82472738
• Mol file: 55160-45-7.mol

Synonyms:2-AMINO-3-IODO-5-NITROBENZONITRILE;55160-45-7;SCHEMBL11404334;DTXSID30581559;AMYPOQXBUHVQHC-UHFFFAOYSA-N

Chemical Property of 2-Amino-3-iodo-5-nitrobenzonitrile

Chemical Property:

• Boiling Point: 406.7±45.0 °C(Predicted)
• PKA: -4.23±0.20(Predicted)
• PSA: 95.63000
• Density: 2.13±0.1 g/cm3(Predicted)
• LogP: 2.75768
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 288.93482
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C#N)N)I)[N+](=O)[O-]

Technology Process of 2-Amino-3-iodo-5-nitrobenzonitrile

There total 1 articles about 2-Amino-3-iodo-5-nitrobenzonitrile 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: 70.0%

5-nitroanthranilonitrile (17420-30-3) → 2-amino-3-iodo-5-nitrobenzonitrile (55160-45-7)

Guidance literature:

With iodine; silver sulfate; In ethylene glycol; at 20 ℃; for 4h;

DOI:10.1080/00304940709458586

Reference yield: 83.0%

1-(prop-2-yn-1-yl)pyrrolidine (7223-42-9) + 2-amino-3-iodo-5-nitrobenzonitrile (55160-45-7) → 2-amino-5-nitro-3-(3-pyrrolidin-1-yl-prop-1-ynyl)-benzonitrile

Guidance literature:

With piperidine; tetrabutylammomium bromide; triphenylphosphine; palladium diacetate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1080/00397910701483449

Reference yield: 79.0%

1-(prop-2-yn-1-yl)piperidine (5799-75-7) + 2-amino-3-iodo-5-nitrobenzonitrile (55160-45-7) → 2-amino-5-nitro-3-(3-piperidin-1-yl-prop-1-ynyl)-benzonitrile

Guidance literature:

With piperidine; tetrabutylammomium bromide; triphenylphosphine; palladium diacetate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1080/00397910701483449

upstream raw materials:

5-nitroanthranilonitrile