4-Amino-2-chloro-5-iodobenzonitrile

Base Information

• Chemical Name: 4-Amino-2-chloro-5-iodobenzonitrile
• CAS No.: 380241-58-7
• Molecular Formula: C7H4ClIN2
• Molecular Weight: 278.48
• DSSTox Substance ID: DTXSID30448173
• Wikidata: Q82267139
• Mol file: 380241-58-7.mol

Synonyms:4-amino-2-chloro-5-iodobenzonitrile;380241-58-7;4-amino-2-chloro-5-iodo-benzonitrile;MFCD09909319;AB3017;SCHEMBL601480;DTXSID30448173;IKCXDJAYEOMPDI-UHFFFAOYSA-N;AMY17069;AKOS022171526;SB81455;CS-11574;SY025218;FT-0732733

Chemical Property of 4-Amino-2-chloro-5-iodobenzonitrile

Chemical Property:

• Boiling Point: 370.5±42.0 °C(Predicted)
• PKA: -1.40±0.10(Predicted)
• PSA: 49.81000
• Density: 2.07±0.1 g/cm3(Predicted)
• LogP: 2.97968
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 277.91077
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-2-chloro-5-iodobenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1I)N)Cl)C#N

Technology Process of 4-Amino-2-chloro-5-iodobenzonitrile

There total 1 articles about 4-Amino-2-chloro-5-iodobenzonitrile 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: 48.0%

4-amino-2-chlorobenzonitrile (20925-27-3) → 4-amino-2-chloro-5-iodobenzonitrile (380241-58-7)

Guidance literature:

With N-iodo-succinimide; In acetic acid;

DOI:10.1016/j.tetlet.2003.09.139

Reference yield: 48.0%

4-amino-2-chloro-5-iodobenzonitrile (380241-58-7) + trimethylsilylacetylene (1066-54-2) → 4-amino-2-chloro-5-((trimethylsilyl)ethynyl)benzonitrile (1425933-51-2)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; at 70 ℃; Inert atmosphere;

Reference yield: 47.0%

methanesulfonyl chloride (124-63-0) + 4-amino-2-chloro-5-iodobenzonitrile (380241-58-7) → N-(5-chloro-4-cyano-2-iodophenyl)methanesulfonamide (380241-67-8)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃;

DOI:10.1021/jm010244+

upstream raw materials:

4-amino-2-chlorobenzonitrile

Downstream raw materials:

N-(5-chloro-4-cyano-2-iodophenyl)methanesulfonamide

(5-chloro-4-cyano-2-iodo-phenyl)-carbamic acid tert-butyl ester

[3-chloro-4-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-carbamic acid tert-butyl ester

[5-chloro-2-iodo-4-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-carbamic acid tert-butyl ester

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