Dimethyl hexafluoroglutarate

Base Information

• Chemical Name: Dimethyl hexafluoroglutarate
• CAS No.: 1513-62-8
• Molecular Formula: C₇H₆F₆O₄
• Molecular Weight: 268.113
• Hs Code.: 2917190090
• European Community (EC) Number: 630-851-9
• DSSTox Substance ID: DTXSID20164754
• Nikkaji Number: J1.210.529K
• Wikidata: Q83033820
• Mol file: 1513-62-8.mol

Synonyms:dimethyl hexafluoroglutarate;dimethyl perfluoropentanedioate;hexafluoroglutaric acid dimethyl ester;HFGDE

Chemical Property of Dimethyl hexafluoroglutarate

Chemical Property:

• Vapor Pressure: 0.838mmHg at 25°C
• Melting Point: −31.8 °C(lit.)
• Refractive Index: n20/D 1.352(lit.)
• Boiling Point: 100 °C34 mm Hg(lit.)
• Flash Point: 62.4°C
• PSA: 52.60000
• Density: 1.458g/cm³
• LogP: 1.23830
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 268.01702764
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

97% ^*data from raw suppliers

Dimethyl Hexafluoroglutarate ^*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(=O)OC)(F)F)(F)F)(F)F

Technology Process of Dimethyl hexafluoroglutarate

There total 5 articles about Dimethyl hexafluoroglutarate 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: 86.0%

methanol (67-56-1) + hexafluoroglutaric acid (376-73-8) → dimethyl hexafluoroglutarate (1513-62-8)

Guidance literature:

With sulfuric acid;

DOI:10.1016/S0022-1139(00)82599-3

Reference yield:

hexafluoro-glutaronitrile (376-89-6) → dimethyl hexafluoroglutarate (1513-62-8)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: aq. HCl

With hydrogenchloride; In methanol;

Reference yield:

2,2,3,3,4,4-hexafluoro-pentanediimidic acid dimethyl ester (755-29-3) → dimethyl hexafluoroglutarate (1513-62-8)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

hexafluoroglutaric acid

5,5,5-Trichlor-2,2,3,3,4,4-hexafluor-valeriansaeure

2,2,3,3,4,4-hexafluoro-pentanediimidic acid dimethyl ester

Downstream raw materials:

2,2,3,3,4,4-Hexafluoro-5-hydroxy-5,5-diphenyl-pentanoic acid methyl ester

2,2,3,3,4,4-Hexafluoro-5-oxo-5-m-tolyl-pentanoic acid methyl ester

2,2,3,3,4,4-Hexafluoro-5-hydroxy-5,5-di-m-tolyl-pentanoic acid methyl ester

2,2,3,3,4,4-Hexafluoro-5-oxo-5-(2,4,6-trimethyl-phenyl)-pentanoic acid methyl ester