4-(1,2-Dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid

Base Information

• Chemical Name: 4-(1,2-Dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid
• CAS No.: 86556-81-2
• Molecular Formula: C6H Cl2 F9 O3
• Molecular Weight: 362.964
• Hs Code.: 2918990090
• European Community (EC) Number: 640-689-0
• DSSTox Substance ID: DTXSID50517633
• Mol file: 86556-81-2.mol

Synonyms:86556-81-2;4-(1,2-Dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid;6,7-DICHLORONONAFLUORO-5-OXAHEPTANOIC ACID;6,7-Dichloroperfluoro-5-oxaheptanoic acid;Butanoic acid,4-(1,2-dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluoro-;DTXSID50517633;AKOS025310483;NS00019288

Chemical Property of 4-(1,2-Dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid

Chemical Property:

• Boiling Point: 257.9±40.0 °C(Predicted)
• PKA: 0.53±0.10(Predicted)
• PSA: 46.53000
• Density: 1.809±0.06 g/cm3(Predicted)
• LogP: 3.64470
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 361.9159027
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

99% ^*data from raw suppliers

4-(1,2-DICHLORO-1,2,2-TRIFLUOROETHOXY)-2,2,3,3,4,4-HEXAFLUOROBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(C(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(F)F)(F)F)O

Technology Process of 4-(1,2-Dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid

There total 3 articles about 4-(1,2-Dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic 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: 80.0%

perfluoro-5-oxa-6-heptenoic acid (73727-54-5) → perfluoro(4-vinyloxybutyric acid) chloride (86556-81-2)

Guidance literature:

With pyridine; thionyl chloride;

Reference yield:

methyl 4-trifluoroethenoxy-2,2,3,3,4,4-hexafluorobutanoate (19190-61-5) → perfluoro(4-vinyloxybutyric acid) chloride (86556-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / 1,1,2-trichloro-1,2,2-trifluoro-ethane

2: 169 g / NaOH / methanol / 16 h

With sodium hydroxide; chlorine; In methanol; 1,1,2-Trichloro-1,2,2-trifluoroethane;

DOI:10.1021/jo961086a

Reference yield:

4-(1,2-Dichloro-1,2,2-trifluoro-ethoxy)-2,2,3,3,4,4-hexafluoro-butyric acid methyl ester (86556-80-1) → perfluoro(4-vinyloxybutyric acid) chloride (86556-81-2)

Guidance literature:

With sodium hydroxide; In methanol; for 16h;

DOI:10.1021/jo961086a

upstream raw materials:

4-(1,2-Dichloro-1,2,2-trifluoro-ethoxy)-2,2,3,3,4,4-hexafluoro-butyric acid methyl ester

methyl 4-trifluoroethenoxy-2,2,3,3,4,4-hexafluorobutanoate

perfluoro-5-oxa-6-heptenoic acid

Refernces

• 1、 Pedersen, Scot D.,Qiu, Weiming,Qiu, Zai-Ming,Kotov, Stefan V.,Burton, Donald J.. "The synthesis of phosphonate ester containing fluorinated vinyl ethers". . p. 8024 - 8031. Retrieved 2007/10/03.