2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoic acid

Base Information

• Chemical Name: 2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoic acid
• CAS No.: 13252-14-7
• Molecular Formula: C9H F17 O4
• Molecular Weight: 496.077
• European Community (EC) Number: 236-237-3
• DSSTox Substance ID: DTXSID00892442
• Nikkaji Number: J120.461K
• ChEMBL ID: CHEMBL2008207
• Mol file: 13252-14-7.mol

Synonyms:2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy)propanoic acid;2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoic acid;HFPO-TrA perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid;perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid;propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy)-

Chemical Property of 2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0.00306mmHg at 25°C
• Boiling Point: 263.2 °C at 760 mmHg
• PKA: -1.26±0.10(Predicted)
• Flash Point: 113 °C
• PSA: 55.76000
• Density: 1.788 g/cm³
• LogP: 4.94360
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 7
• Exact Mass: 495.9603373
• Heavy Atom Count: 30
• Complexity: 647

Purity/Quality:

98% ^*data from raw suppliers

Perfluoro-2,5-dimethyl-3,6-dioxanonanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by inhalation and skin contact. A moderate eye irritant.
• Hazard Codes: Moderately toxic by inhalation and skin contact. A moderate eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O

Technology Process of 2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoic acid

There total 1 articles about 2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoic acid 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: 89.5%

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride (2641-34-1) → 2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid (13252-14-7)

Guidance literature:

With water; for 1h; Ambient temperature;

Reference yield:

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid (13252-13-6) + 2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid (13252-14-7) → Perfluoro-5,8,9,12-tetramethyl-4,7,10,13-tetaoxahexadecane (61098-00-8) + Perfluoro-5,6-dimethyl-4,7-dioxadecane (2501-01-1) + perfluoro-4,7,10-trioxa-5,8,9-trimethyltridecane (130158-24-6)

Guidance literature:

at 25 ℃; Product distribution; electrolysis; effect of solvent composition (CH₃CN, H₂O, pyridine);

upstream raw materials:

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride

Downstream raw materials:

Perfluoro-5,8,9,12-tetramethyl-4,7,10,13-tetaoxahexadecane

Perfluoro-5,6-dimethyl-4,7-dioxadecane

perfluoro-4,7,10-trioxa-5,8,9-trimethyltridecane

Refernces

• 1、 Shi, Xiang,Shi, Hongxin,Wu, Hongke,Shen, HaiMin. "Synthesis of novel perfluoroalkyl ether derivatives". . p. 5091 - 5105. Retrieved 2018/04/05.