1,3-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester

Base Information

• Chemical Name: 1,3-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester
• CAS No.: 92996-14-0
• Molecular Formula: C20H4F10O4
• Molecular Weight: 498.233
• DSSTox Substance ID: DTXSID60456802
• Nikkaji Number: J1.863.939D
• Wikidata: Q82279377

Synonyms:1,3-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester;92996-14-0;SCHEMBL5675604;bis(perfluorophenyl) isophthalate;DTXSID60456802;Isophthalic acid bis(pentafluorophenyl) ester

Chemical Property of 1,3-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 497.99499023
• Heavy Atom Count: 34
• Complexity: 656

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

Technology Process of 1,3-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester

There total 1 articles about 1,3-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester 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:

isophthalic acid (121-91-5) + 2,3,4,5,6-pentafluorophenol (771-61-9) → dipentafluorophenol ester of benzene-1,3-dicarboxylic acid (92996-14-0)

Guidance literature:

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 ℃; for 2h;

Reference yield: 100.0%

dipentafluorophenol ester of benzene-1,3-dicarboxylic acid (92996-14-0) + (4S,5S)-4-Amino-5-benzyloxycarbonylamino-azepane-1-carboxylic acid tert-butyl ester (193354-19-7) → C46H60N6O10 (193354-09-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4020(97)90388-4

Reference yield: 90.0%

dipentafluorophenol ester of benzene-1,3-dicarboxylic acid (92996-14-0) + C68H81N13O10*C2HF3O2 → C144H164N26O22

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; for 45h;

DOI:10.1016/S0040-4020(00)00252-0

upstream raw materials:

isophthalic acid

2,3,4,5,6-pentafluorophenol

Downstream raw materials:

C₁₃₂H₁₇₂Cl₂N₃₂O₂₈

C₁₃₂H₁₇₄N₃₂O₂₈

C₄₆H₆₀N₆O₁₀

C₄₈H₃₆F₁₀N₄O₈

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