Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate

Base Information

• Chemical Name: Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate
• CAS No.: 30431-54-0
• Deprecated CAS: 102579-84-0,112538-75-7,51580-21-3,81516-73-6,112538-75-7,51580-21-3
• Molecular Formula: C26H24Cl6O8
• Molecular Weight: 677.19
• Hs Code.: 2917119000
• European Community (EC) Number: 250-195-3
• UNII: 44594F9XR2
• DSSTox Substance ID: DTXSID0067559
• Nikkaji Number: J134.974K
• Wikipedia: Bis(2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl)oxalate
• Wikidata: Q15410297
• Mol file: 30431-54-0.mol

Synonyms:bis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate;CPPO

Chemical Property of Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate

Chemical Property:

• Vapor Pressure: 5.27E-19mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.565
• Boiling Point: 692.1 °C at 760 mmHg
• Flash Point: 202.4 °C
• PSA: 105.20000
• Density: 1.434 g/cm³
• LogP: 8.81200
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Chloroform
• Water Solubility.: 不溶于水，易溶于有机溶剂
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 675.957284
• Heavy Atom Count: 40
• Complexity: 795

Purity/Quality:

99% ^*data from raw suppliers

Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] Oxalate >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)C(=O)OCCCCC

Technology Process of Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate

There total 5 articles about Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate 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: 65.0%

oxalyl dichloride (79-37-8) + pentyl 3,5,6-trichlorosalicylate (30431-53-9) → bis<3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl>oxalate (30431-54-0)

Guidance literature:

With triethylamine; In benzene; for 6h; Ambient temperature;

Reference yield:

5-chloro-2-hydroxybenzoic acid (321-14-2) → bis<3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl>oxalate (30431-54-0)

Guidance literature:

Multi-step reaction with 4 steps

1: chlorine / acetic acid / Ambient temperature

2: 81 percent / 65percent oleum, iodine, chlorine / 6 h / 40 - 70 °C

3: 43 percent / conc. H₂SO₄ / 24 h / Heating

4: 65 percent / triethylamine / benzene / 6 h / Ambient temperature

With sulfuric acid; iodine; chlorine; triethylamine; In acetic acid; benzene;

Reference yield:

3,5-dichlorosalicylic acid (320-72-9) → bis<3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl>oxalate (30431-54-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / 65percent oleum, iodine, chlorine / 6 h / 40 - 70 °C

2: 43 percent / conc. H₂SO₄ / 24 h / Heating

3: 65 percent / triethylamine / benzene / 6 h / Ambient temperature

With sulfuric acid; iodine; chlorine; triethylamine; In benzene;

upstream raw materials:

oxalyl dichloride

pentyl 3,5,6-trichlorosalicylate

5-chloro-2-hydroxybenzoic acid

3,5-dichlorosalicylic acid

Downstream raw materials:

carbon dioxide

pentyl 3,5,6-trichlorosalicylate

2-chloro-9,10-di-p-tolyl-9,10-dihydroanthracene-9,10-diol

Refernces