1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester

Base Information

• Chemical Name: 1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester
• CAS No.: 133921-07-0
• Molecular Formula: C20H4F10O4
• Molecular Weight: 498.233
• European Community (EC) Number: 939-343-4
• DSSTox Substance ID: DTXSID90449449
• Nikkaji Number: J1.547.323A
• Wikidata: Q82268917
• Mol file: 133921-07-0.mol

Synonyms:133921-07-0;1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester;1,4-dipentafluorophenyl benzene-1,4-dicarboxylate;Bis(2,3,4,5,6-pentafluorophenyl) Benzene-1,4-dicarboxylate;1,4-bis(2,3,4,5,6-pentafluorophenyl) benzene-1,4-dicarboxylate;SCHEMBL5889497;DTXSID90449449;MFCD20274437;AKOS025393871;Terephthalic acid bis(pentafluorophenyl) ester;1Y-0252;1,4-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxylate

Chemical Property of 1,4-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: 646

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=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 1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester

There total 2 articles about 1,4-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:

terephthalic acid (100-21-0) + pentafluorophenyl trifloroacetate (14533-84-7) → terephthalic acid bis-pentafluorophenyl ester (133921-07-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/jm010375a

Reference yield:

terephthalic acid (100-21-0) + 2,3,4,5,6-pentafluorophenol (771-61-9) → terephthalic acid bis-pentafluorophenyl ester (133921-07-0)

Guidance literature:

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

Reference yield: 63.0%

1-(3-Methyl-butyl)-4-nitro-1H-pyrrole-2-carboxylic acid (5-carbamimidoyl-pentyl)-amide hydrochloride + to.4-amino-1-(3-methyl-butyl)-1H-pyrrole-2-carboxylic acid (5-carbamimidoyl-pentyl)-amide + terephthalic acid bis-pentafluorophenyl ester (133921-07-0) → N,N'-bis-[5-(4-carbamimidoyl-butylcarbamoyl)-1-(3-methyl-butyl)-1H-pyrrol-3-yl]-terephthalamide (386250-76-6)

Guidance literature:

upstream raw materials:

terephthalic acid

2,3,4,5,6-pentafluorophenol

pentafluorophenyl trifloroacetate

Downstream raw materials:

C₁₃₂H₁₇₄N₃₂O₂₈

N,N'-Bis-{1-(3-methyl-butyl)5-[2-(N-methylcarbamimidoyl)-ethylcarbamoyl)-1H-pyrrol-3-yl]-terephthalamide

N,N'-Bis-[5-(2-amino-ethylcarbamoyl)-1-(3-methyl-butyl)-1H-pyrrol-3-yl]-terephthalamide

N,N'-Bis-[5-(carbamimidoylmethylcarbamoyl)-1-cyclopropylmethyl-1H-pyrrol-3-yl]-terephthalamide

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