Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester

Base Information

Chemical Name:Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester
CAS No.:150765-78-9
Molecular Formula:C8H9F3O4S
Molecular Weight:258.218
Hs Code.:
DSSTox Substance ID:DTXSID20445459
Wikidata:Q82263870
Mol file:150765-78-9.mol

Synonyms:150765-78-9;Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester;Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester;(2-methyl-3-oxocyclohexen-1-yl) trifluoromethanesulfonate;SCHEMBL1723395;DTXSID20445459;3-oxo-2-methylcyclohexen-1-yl trifluoromethanesulfonate;2-methyl-3-oxo-cyclohex-1-en-1-yl trifluoromethanesulfonate;2-METHYL-3-OXOCYCLOHEX-1-EN-1-YL TRIFLUOROMETHANESULFONATE

Suppliers and Price of Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester

Chemical Property:

PSA：68.82000
LogP:2.96040
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:258.01736442
Heavy Atom Count:16
Complexity:427

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(CCCC1=O)OS(=O)(=O)C(F)(F)F

Technology Process of Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester

There total 4 articles about Methanesulfonic acid, trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl 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: 100.0%

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 358-23-6
trifluoromethylsulfonic anhydride

: 150765-78-9
2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate

Guidance literature:: With pyridine; In dichloromethane; at -78 - 0 ℃;
DOI:10.1021/ja050663m DOI:10.1021/ja0608085

Reference yield: 98.0%

: 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 150765-78-9
2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate

Guidance literature:: With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; 1.) 0 deg C, 30 min, 2.) r.t., 30 min;
DOI:10.1039/a702815f

Reference yield: 65.0%

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 456-64-4
phenyl trifluoromethanesulfonamide

: 150765-78-9
2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate

Guidance literature:: 2-methylcyclohexane-1,3-dione; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 2h;

phenyl trifluoromethanesulfonamide; In tetrahydrofuran; at 0 ℃; for 9h;
DOI:10.1021/jo0498866