Tetrachlorophthalimide

Base Information

• Chemical Name: Tetrachlorophthalimide
• CAS No.: 1571-13-7
• Molecular Formula: C8HCl4NO2
• Molecular Weight: 284.913
• Hs Code.: 29251900
• European Community (EC) Number: 216-386-0
• NSC Number: 72066
• UNII: Q8JA407327
• DSSTox Substance ID: DTXSID0061791
• Nikkaji Number: J40.151J
• Wikidata: Q27287116
• Mol file: 1571-13-7.mol

Synonyms:NSC 72066;Phthalimide,3,4,5,6-tetrachloro- (6CI,7CI,8CI);3,4,5,6-Tetrachlorophthalimide;

Chemical Property of Tetrachlorophthalimide

Chemical Property:

• Appearance/Colour: White to light yellow powder
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.654
• PKA: 5.78±0.20(Predicted)
• PSA: 46.17000
• Density: 1.833 g/cm³
• LogP: 3.51260
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMF: soluble25mg/mL, clear, light yellow
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 284.873189
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

3,4,5,6-Tetrachlorophthalimide >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)NC2=O
• Uses: 3,4,5,6-Tetrachlorophthalimide was used to study the influence of metal binding and posttranslational modification of the carboxylated lysine on the activity of recombinant hydantoinase from Agrobacterium radiobacter.

Technology Process of Tetrachlorophthalimide

There total 19 articles about Tetrachlorophthalimide 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%

tetrachlorophthalic anhydride (117-08-8) → 3,4,5,6-tetrachlorophthalimide (1571-13-7)

Guidance literature:

With N,N-dimethyl-formamide; urea; for 0.00833333h; microwave irradiation;

Reference yield: 87.0%

Caproamide (628-02-4) → 3,4,5,6-tetrachlorophthalimide (1571-13-7) + hexanoic acid (142-62-1)

Guidance literature:

With tetrachlorophthalic anhydride; at 135 ℃; for 96h;

DOI:10.1016/S0040-4039(00)82395-3

Reference yield: 86.0%

benzonitrile (100-47-0) → 3,4,5,6-tetrachlorophthalimide (1571-13-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With tetrachlorophthalic anhydride; at 170 ℃; for 144h;

DOI:10.1016/S0040-4039(00)82395-3

upstream raw materials:

tetrachlorophthalic anhydride

formamide

cinnamic nitrile

hexanenitrile

Downstream raw materials:

4,5,6,7-tetrachloro-2-diethoxythiophosphoryloxy-isoindoline-1,3-dione

N-methyl-tetrachlorophthalimide

1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecachlorophthalocyanine

methyl 2,3,4-tri-O-benzyl-6-deoxy-6-(4,5,6,7-tetrachlorophthalimid-2-yl)-α-D-mannopyranoside

Refernces

• 1、 Liu, Luxiao,Zhang, Hong-Yu,Yin, Guohui,Zhang, Yuecheng,Zhao, Jiquan. "Synthesis of N-unsubstituted cyclic imides from anhydride with urea in deep eutectic solvent (DES) choline chloride/urea". . p. 1351 - 1357. Retrieved 2019/11/19.
• 2、 Marvi, Omid. "Grinding imidation of anhydrides on smectite clays as recyclable and heterogeneous catalysts under solvent-free conditions". . p. 3501 - 3504. Retrieved 2017/08/14.