1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-

Base Information

• Chemical Name: 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-
• CAS No.: 14737-80-5
• Molecular Formula: C9H3 Cl4 N O2
• Molecular Weight: 298.94
• Hs Code.: 2925190090
• European Community (EC) Number: 238-799-5
• NSC Number: 45112
• DSSTox Substance ID: DTXSID9065813
• Nikkaji Number: J227.169I
• Wikidata: Q72490971
• Mol file: 14737-80-5.mol

Synonyms:14737-80-5;N-Methyltetrachlorophthalimide;4,5,6,7-Tetrachloro-2-methylisoindoline-1,3-dione;1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-;N-Methyl-3,4,5,6-tetrachlorophthalimide;4,5,6,7-tetrachloro-2-methylisoindole-1,3-dione;C9H3Cl4NO2;3,4,5,6-Tetrachloro-N-methylphthalimide;EINECS 238-799-5;NSC 45112;4,5,6,7-tetrachloro-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione;NSC45112;SCHEMBL1815113;C9-H3-Cl4-N-O2;DTXSID9065813;MFCD07368041;NSC-45112;AKOS008637752;N-Methyl-3,5,6-tetrachlorophthalimide;AC-14598;AS-13144;CS-0188149;E77946;1H-Isoindole-1, 4,5,6,7-tetrachloro-2-methyl-;A911456;W-108116;2-Methyl-4,5,6,7-tetrachloro-isoindoline-1,3-dione;4,5,6,7-tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione

Chemical Property of 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-

Chemical Property:

• Vapor Pressure: 1.37E-10mmHg at 25°C
• Melting Point: 273.0℃~275.0℃
• Boiling Point: 433.1 °C at 760 mmHg
• PKA: -3.82±0.20(Predicted)
• Flash Point: 215.7 °C
• PSA: 37.38000
• Density: 1.754 g/cm³
• LogP: 3.46390
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 298.888839
• Heavy Atom Count: 16
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

N-Methyltetrachlorophthalimide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl

Technology Process of 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-

There total 6 articles about 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl- 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: 95.0%

tetrachlorophthalic anhydride (117-08-8) + methylamine (74-89-5) → N-methyl-tetrachlorophthalimide (14737-80-5)

Guidance literature:

With sulfolane; at 25 - 110 ℃; for 2.5h; Cooling with acetone-dry ice;

DOI:10.1021/op970244c

Reference yield: 79.0%

N-methylbenzamide (88070-48-8) → N-methyl-tetrachlorophthalimide (14737-80-5) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With tetrachlorophthalic anhydride; at 160 ℃; for 120h;

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

Reference yield: 34.0%

3,4,5,6-tetrachlorophthalimide (1571-13-7) + methyl iodide (74-88-4) → N-methyl-tetrachlorophthalimide (14737-80-5)

Guidance literature:

3,4,5,6-tetrachlorophthalimide; With potassium hydroxide; In ethanol;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1248/cpb.49.791

upstream raw materials:

tetrachlorophthalic anhydride

methylamine

N-methylbenzamide

methyl bromide

Downstream raw materials:

4-(p-toluylthio)-3,5,6-trichlorophthalic acid N-methylimide

2,4,5-trifluorobenzoic acid

3,4,6-trifluorophthalic acid