4,5,6,7-Tetrachlorophthalide

Base Information

• Chemical Name: 4,5,6,7-Tetrachlorophthalide
• CAS No.: 27355-22-2
• Molecular Formula: C8H2 Cl4 O2
• Molecular Weight: 271.915
• Hs Code.: 2932209013
• UNII: 44IHE2M2T4
• DSSTox Substance ID: DTXSID2058045
• Nikkaji Number: J1.881C
• Wikidata: Q27094229
• Metabolomics Workbench ID: 147829
• ChEMBL ID: CHEMBL357452
• Mol file: 27355-22-2.mol

Synonyms:4,5,6,7-tetrachlorophthalide

Chemical Property of 4,5,6,7-Tetrachlorophthalide

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 8.38E-09mmHg at 25°C
• Melting Point: 209-210oC
• Refractive Index: 1.5282 (estimate)
• Boiling Point: 464.4°Cat760mmHg
• Flash Point: 215.8°C
• PSA: 26.30000
• Density: 1.767g/cm³
• LogP: 3.97060
• Storage Temp.: 0-6°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 271.877940
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phthalide(Fthalide) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O1
• Uses: Phthalide (Fthalide) is a fungicide used against the Penicillium and Aspergiillus species of fungus. Pesticide.

Technology Process of 4,5,6,7-Tetrachlorophthalide

There total 10 articles about 4,5,6,7-Tetrachlorophthalide 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: 86.0%

tetrachlorophthalic anhydride (117-08-8) → 4,5,6,7-tetrachloroisobenzofuran-1(3H)-one (27355-22-2)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; for 0.25h;

Reference yield: 65.0%

3,4,5,6-tetrachloro-1,2-bis(hydroxymethyl)benzene (56135-96-7) → 4,5,6,7-tetrachloroisobenzofuran-1(3H)-one (27355-22-2) + 4,5,6,7-tetrachloro-1,3-dihydroisobenzofuran-1-ol (1579147-86-6)

Guidance literature:

With Oxone; 2-iodo-3,4,5,6-tetramethylbenzoic acid; In water; acetonitrile; at 30 ℃; for 24h; Green chemistry;

DOI:10.1016/j.tet.2014.01.034

Reference yield:

→ kasugamycin (6980-18-3) + 4,5,6,7-tetrachloroisobenzofuran-1(3H)-one (27355-22-2)

Guidance literature:

upstream raw materials:

tetrachlorophthalic acid

tetrachlorophthalic anhydride

tetrahydrofuran

diethyl ether

Refernces

• 1、 -. "PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE". Page/Page column 5. . Retrieved 2012/04/10.
• 2、 -. "Solid formulations". . . Retrieved 2008/06/13.