Nitroisophthaloyl chloride

Base Information

• Chemical Name: Nitroisophthaloyl chloride
• CAS No.: 57053-00-6
• Molecular Formula: C8H3Cl2NO4
• Molecular Weight: 248.022
• DSSTox Substance ID: DTXSID201277016
• Mol file: 57053-00-6.mol

Synonyms:nitroisophthaloyl chloride;57053-00-6;SCHEMBL10789939;KFYIOCCUPRWVCY-UHFFFAOYSA-N;DTXSID201277016;2-Nitro-1,3-benzenedicarbonyl dichloride

Chemical Property of Nitroisophthaloyl chloride

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 246.9439130
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(=O)Cl)[N+](=O)[O-])C(=O)Cl

Technology Process of Nitroisophthaloyl chloride

There total 3 articles about Nitroisophthaloyl chloride 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:

2-nitroisophthalic acid (21161-11-5) → 2-nitro-1,3-benzenedicarbonyl chloride (57053-00-6)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1021/ja01192a029

Reference yield:

2,6-dimethylnitrobenzene (81-20-9) → 2-nitro-1,3-benzenedicarbonyl chloride (57053-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; potassium permanganate

2: thionyl chloride / dichloromethane

With potassium permanganate; thionyl chloride; sodium hydroxide; In dichloromethane;

DOI:10.1021/om500978n

Reference yield:

→ 2-nitro-1,3-benzenedicarbonyl chloride (57053-00-6)

Guidance literature:

upstream raw materials:

2-nitroisophthalic acid

2,6-dimethylnitrobenzene

Downstream raw materials:

2-amino-N,N,N′,N′-tetramethylisophthalamide

N,N,N',N'-tetramethyl-2-nitroisophthalamide

2-nitro-1,3-benzenediacetic acid, bis(methyl ester)

2-nitrobenzene-1,3-dicarboxamide

Refernces

• 1、 Oshima, Juro,Yoshihara, Toshitada,Tobita, Seiji. "Water-induced fluorescence quenching of mono- and dicyanoanilines". . p. 306 - 311. Retrieved 2008/02/13.
• 2、 Pavia, Michael R.,Moos, Walter H.,Hershenson, Fred M.. "Benzo-Fused Bicyclic Imides". . p. 560 - 564. Retrieved 2007/10/02.