Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester
CAS No.:41605-53-2
Molecular Formula:C12H7F9O5S
Molecular Weight:434.236
Hs Code.:
DSSTox Substance ID:DTXSID00458188
Nikkaji Number:J1.361.923I
Wikidata:Q82281365
Mol file:41605-53-2.mol

Synonyms:41605-53-2;Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester;DTXSID00458188;NZRUJDNEXKOILC-UHFFFAOYSA-N;Methyl 4-[[(nonafluorobutyl)sulfonyl]oxy]benzoate;4-(Nonafluorobutylsulfonyloxy)benzoic acid methyl ester

Suppliers and Price of Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:433.98704795
Heavy Atom Count:27
Complexity:645

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Technology Process of Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester

There total 3 articles about Benzoic acid, 4-[[(nonafluorobutyl)sulfonyl]oxy]-, methyl ester 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: 92.0%

: 375-72-4
Nonafluorobutanesulfonyl fluoride

: 99-76-3,156291-94-0
methyl 4-hydroxylbenzoate

: 41605-53-2
methyl 4-[(nonafluorobutanesulfonyl)oxy]benzoate

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 16h; Inert atmosphere;
DOI:10.1021/acs.joc.1c02172

Reference yield: 90.0%

: 375-72-4
Nonafluorobutanesulfonyl fluoride

: 27739-17-9
(4-methoxycarbonylphenoxy)trimethylsilane

: 420-56-4
trimethylsilyl fluoride

: 41605-53-2
methyl 4-[(nonafluorobutanesulfonyl)oxy]benzoate

Guidance literature:: triethylamine; In neat (no solvent); in presence of a few HF, CsF, KF, (R4N)F, (C2H5)2NH, effectless in presence of pyridinp, NaF and NH4F;