Ethyl perfluoroheptanoate

Base Information

• Chemical Name: Ethyl perfluoroheptanoate
• CAS No.: 41430-70-0
• Molecular Formula: C9H5F13O2
• Molecular Weight: 392.117
• Hs Code.: 2915900090
• European Community (EC) Number: 255-362-4
• UNII: MMH3W668W4
• DSSTox Substance ID: DTXSID80194350
• Nikkaji Number: J267.308H
• Wikidata: Q81985546
• Mol file: 41430-70-0.mol

Synonyms:Ethyl perfluoroheptanoate;41430-70-0;ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate;Heptanoic acid, tridecafluoro-, ethyl ester;MMH3W668W4;EINECS 255-362-4;UNII-MMH3W668W4;Ethyl tridecafluoroheptanoate;Ethyl=tridecafluoroheptanoate;C6F13COOC2H5;SCHEMBL2691524;C9H5F13O2;DTXSID80194350;C9-H5-F13-O2;MFCD00039242;AKOS007930396;MS-20529;CS-0332369;FT-0626228;A825554;2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid ethyl ester;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid ethyl ester;Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl ester

Chemical Property of Ethyl perfluoroheptanoate

Chemical Property:

• Vapor Pressure: 3.01mmHg at 25°C
• Refractive Index: 1.302
• Boiling Point: 155.6 °C at 760 mmHg
• Flash Point: 47.2 °C
• PSA: 26.30000
• Density: 1.557 g/cm³
• LogP: 4.28830
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 392.0081955
• Heavy Atom Count: 24
• Complexity: 478

Purity/Quality:

98%min ^*data from raw suppliers

EthylPerfluoroheptanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of Ethyl perfluoroheptanoate

There total 5 articles about Ethyl perfluoroheptanoate 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: 75.0%

perfluorooct-1-ene (559-14-8) + ethanol (64-17-5) → ethyl ester of perfluoropelargonic acid (41430-70-0)

Guidance literature:

With oxygen; ozone; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 0 - 5 ℃; for 2h;

DOI:10.1023/A:1012311903712

Reference yield: 40.0%

n-perfluorohexyl iodide (355-43-1) + formic acid ethyl ester (109-94-4) → ethyl ester of perfluoropelargonic acid (41430-70-0) + perfluorohexyl aldehyde (63967-41-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); copper; zinc; for 0.333333h; Ambient temperature;

DOI:10.1016/0022-1139(94)03089-I

Reference yield:

n-perfluorohexyl iodide (355-43-1) + diethyl dicarbonate (1609-47-8) → ethyl ester of perfluoropelargonic acid (41430-70-0)

Guidance literature:

With hydrogenchloride; water; chloroformic acid ethyl ester; copper; zinc; Multistep reaction; 1) 80-90 degC,;

DOI:10.1016/S0040-4020(01)91802-2

upstream raw materials:

n-perfluorohexyl iodide

diethyl dicarbonate

Diethyl carbonate

formic acid ethyl ester

Downstream raw materials:

1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoropentadecan-7,9-dione

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexanone

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-one

Refernces

• 1、 Benefice-Malouet, S.,Commeyras, A.. "Reactivity of perfluorohexyl iodide with N,N-disubstituted amides and esters in the presence of a metal couple and radical initiator". . p. 103 - 108. Retrieved 2007/10/02.
• 2、 -. "Process for functionalizing perfluorohalogenoalkanes". . . Retrieved 2008/06/13.