Dimethyl dodecafluorosuberate

Base Information

• Chemical Name: Dimethyl dodecafluorosuberate
• CAS No.: 2062-20-6
• Molecular Formula: C10H6 F12 O4
• Molecular Weight: 418.136
• Hs Code.: 29171900
• European Community (EC) Number: 670-438-0
• DSSTox Substance ID: DTXSID50371853
• Nikkaji Number: J2.155.973C
• Wikidata: Q82159338
• Mol file: 2062-20-6.mol

Synonyms:Dimethyl dodecafluorosuberate;2062-20-6;Dimethyl perfluorosuberate;Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioate;Dimethyl dodecafluorooctanedioate;Dimethylperfluorosuberate;Dimethyl perfluorooctanedioate;SCHEMBL672362;DTXSID50371853;MFCD00044088;AKOS015852803;Dodecafluorooctanedioic acid dimethyl ester;FT-0625563;A814748;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid dimethyl ester;dimethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)octanedioate;Octanedioic acid,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-,1,8-dimethyl ester

Chemical Property of Dimethyl dodecafluorosuberate

Chemical Property:

• Vapor Pressure: 0.0571mmHg at 25°C
• Melting Point: 26°C
• Refractive Index: 1.3425
• Boiling Point: 152°C 60mm
• Flash Point: 92.1°C
• PSA: 52.60000
• Density: 1.57g/cm³
• LogP: 3.14420
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 418.0074466
• Heavy Atom Count: 26
• Complexity: 520

Purity/Quality:

97% ^*data from raw suppliers

DimethylPerfluorosuberate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl dodecafluorosuberate

There total 5 articles about Dimethyl dodecafluorosuberate 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:

sodium methylate (124-41-4) + 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-octanedioic acid monomethyl ester → dimethyl Perfluorosuberate (2062-20-6)

Guidance literature:

In methanol; acetonitrile; (electrolysis);

Reference yield:

methanol (67-56-1) + 1,8-Bis-methylmercapto-hexadecafluor-octan (3601-05-6) → dimethyl Perfluorosuberate (2062-20-6)

Guidance literature:

Multistep reaction; (i) H₂SO₄, (ii) /BRN= 1098229/;

DOI:10.1021/jo01020a028

Reference yield:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioyl dichloride (1967-93-7) → dimethyl Perfluorosuberate (2062-20-6)

Guidance literature:

(esterification);

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

upstream raw materials:

methanol

1,8-Bis-methylmercapto-hexadecafluor-octan

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioyl dichloride

sodium methylate

Downstream raw materials:

Dodecafluorsuberiadiamid

perfluorooctanedinitrile

4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,12-di-naphthalen-2-yl-dodecane-1,3,10,12-tetraone