Dimethyl perfluorosebacate

Base Information

• Chemical Name: Dimethyl perfluorosebacate
• CAS No.: 4590-24-3
• Molecular Formula: C₁₂H₆F₁₆O₄
• Molecular Weight: 518.152
• Hs Code.: 2917190090
• European Community (EC) Number: 670-434-9
• DSSTox Substance ID: DTXSID30371851
• Nikkaji Number: J919.430D
• Wikidata: Q82159334
• Mol file: 4590-24-3.mol

Synonyms:4590-24-3;dimethyl perfluorosebacate;Dimethyl hexadecafluorosebacate;Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;Dimethyl hexadecafluorosebacate,;C12H6F16O4;Dimethylperfluorosebacate;Dimethyl perfluorodecanedioate;SCHEMBL3082673;DTXSID30371851;VZHNQOSVLFDCLH-UHFFFAOYSA-N;MFCD00236604;AKOS015852860;Hexadecafluorosebacic acid dimethyl ester;CS-0320010;FT-0625094;A826921;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid dimethyl ester;dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)decanedioate

Chemical Property of Dimethyl perfluorosebacate

Chemical Property:

• Vapor Pressure: 0.0923mmHg at 25°C
• Boiling Point: 224.2°Cat760mmHg
• Flash Point: 87°C
• PSA: 52.60000
• Density: 1.613g/cm³
• LogP: 4.41480
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 11
• Exact Mass: 518.0010593
• Heavy Atom Count: 32
• Complexity: 681

Purity/Quality:

98%min ^*data from raw suppliers

DimethylHexadecafluorosebacate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl perfluorosebacate

There total 6 articles about Dimethyl perfluorosebacate 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + perfluorosebacic acid (307-78-8) → dimethyl perfluorosebacate (4590-24-3)

Guidance literature:

In diethyl ether; at 0 ℃; Yield given;

DOI:10.1016/S0040-4039(97)10344-6

Reference yield:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Octadecafluoro-decanoyl chloride → dimethyl perfluorosebacate (4590-24-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NO₂, Cl₂

2: (esterification)

With chlorine; Nitrogen dioxide;

DOI:10.1016/S0040-4039(00)75950-8

Reference yield:

sodium methylate (124-41-4) + 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-decanedioic acid monomethyl ester → dimethyl perfluorosebacate (4590-24-3)

Guidance literature:

In methanol; acetonitrile; (electrolysis);

upstream raw materials:

methanol

1,10-Bis-methylmercapto-eicosafluor-decan

sodium methylate

diazomethane

Refernces