Dimethyl 2,3,5,6-tetrafluoroterephthalate

Base Information

• Chemical Name: Dimethyl 2,3,5,6-tetrafluoroterephthalate
• CAS No.: 727-55-9
• Molecular Formula: C10H6F4O4
• Molecular Weight: 266.149
• DSSTox Substance ID: DTXSID90469389
• Nikkaji Number: J1.302.871K
• Wikidata: Q82297078
• Mol file: 727-55-9.mol

Synonyms:dimethyl 2,3,5,6-tetrafluoroterephthalate;727-55-9;Dimethyl 2,3,5,6-tetrafluorobenzene-1,4-dicarboxylate;1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-, dimethyl ester;dimethyl2,3,5,6-tetrafluoroterephthalate;SCHEMBL522175;C10H6F4O4;DTXSID90469389;JCEMPCVTIITKAC-UHFFFAOYSA-N;MFCD25966677;BS-24394;CS-0187373;A856464;1,4-Benzenedicarboxylic acid,2,3,5,6-tetrafluoro-,dimethyl ester

Chemical Property of Dimethyl 2,3,5,6-tetrafluoroterephthalate

Chemical Property:

• PSA: 52.60000
• LogP: 1.81620
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 266.02022132
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99.3% ^*data from raw suppliers

Dimethyl2,3,5,6-tetrafluoroterephthalate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(C(=C1F)F)C(=O)OC)F)F

Technology Process of Dimethyl 2,3,5,6-tetrafluoroterephthalate

There total 12 articles about Dimethyl 2,3,5,6-tetrafluoroterephthalate 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: 93.0%

methanol (67-56-1) + 2,3,5,6-tetrafluoroterephthalic acid (652-36-8) → dimethyl 2,3,5,6-tetrafluoroterephthalate (727-55-9)

Guidance literature:

With sulfuric acid; at 20 ℃; for 24.1667h; Reflux;

Reference yield: 89.0%

methanol (67-56-1) + tetrachloroterephthaloyl dichloride (719-32-4) → dimethyl 2,3,5,6-tetrafluoroterephthalate (727-55-9)

Guidance literature:

tetrachloroterephthaloyl dichloride; With potassium fluoride; In dimethylsulfone; toluene; at 100 - 145 ℃; for 3h;

methanol; In dimethylsulfone; toluene; at 60 ℃; for 10h; Product distribution / selectivity;

Reference yield: 88.0%

methanol (67-56-1) + C8ClF5O2 (98235-77-9) + 2,3,5,6-tetrafluoroterephthalic acid difluoride (950-70-9) → dimethyl 2,3,5-trifluoro-6-chloroterephthalate (940940-15-8) + dimethyl 2,3,5,6-tetrafluoroterephthalate (727-55-9)

Guidance literature:

In sulfolane; toluene; at 20 ℃; for 12h; Product distribution / selectivity;

upstream raw materials:

methanol

2,3,5,6-tetrafluoroterephthalic acid

tetrachloroterephthaloyl dichloride

2,3,5,6-tetrafluoroterephthalic acid difluoride

Downstream raw materials:

2,3,5,6-tetrafluoro-1,4-benzenedimethanol

2,3,5,6-tetrafluoro-4-(methoxycarbonyl)benzoic acid

2,3,5,6-tetrafluoro-4-(hydroxymethyl)benzoic acid

2,3,5,6-tetrafluoro-4-trifluoromethylbenzyl alcohol

Refernces

• 1、 -. "New preparation method of 1-bromo-methyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene". Paragraph 0034-0035. . Retrieved 2019/08/20.
• 2、 Zaitsev, Kirill V.,Oprunenko, Yuri F.,Lermontova, Elmira Kh.,Churakov, Andrei V.. "Extending the series of p-substituted tetrafluorobenzoic acids: synthesis, properties and structure". . p. 49 - 58. Retrieved 2017/03/22.