Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester

Base Information

Chemical Name:Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester
CAS No.:646522-76-1
Molecular Formula:C12H11F3O4S
Molecular Weight:308.278
Hs Code.:
DSSTox Substance ID:DTXSID20464180
Nikkaji Number:J1.993.348B
Wikidata:Q82289408

Synonyms:646522-76-1;Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester;DTXSID20464180

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

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Chemical Property of Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:308.03301449
Heavy Atom Count:20
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1CC(=O)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

Technology Process of Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester

There total 5 articles about Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl 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:

: 358-23-6
trifluoromethylsulfonic anhydride

: 646522-95-4
2-cyclopropyl-1-(2-hydroxy-phenyl)-ethanone

: 646522-76-1
trifluoromethanesulfonic acid 2-(2-cyclopropylacetyl)phenyl ester

Guidance literature:: With pyridine; In dichloromethane; at -78 - 20 ℃;
DOI:10.1021/jo0352023

Reference yield:

: 578-57-4
2-bromoanisole

: 646522-76-1
trifluoromethanesulfonic acid 2-(2-cyclopropylacetyl)phenyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.17 h / -78 °C

1.2: tetrahydrofuran; hexane / -78 - 20 °C

2.1: BCl₃ / CH₂Cl₂ / -78 - 20 °C

3.1: pyridine / CH₂Cl₂ / -78 - 20 °C

With pyridine; n-butyllithium; boron trichloride; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/jo0352023

Reference yield:

: 5239-82-7
cyclopropylacetic acid

: 646522-76-1
trifluoromethanesulfonic acid 2-(2-cyclopropylacetyl)phenyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: carbonyl diimidazole / CH₂Cl₂ / 0.75 h

1.2: CH₂Cl₂

2.1: n-BuLi / tetrahydrofuran; hexane / 0.17 h / -78 °C

2.2: tetrahydrofuran; hexane / -78 - 20 °C

3.1: BCl₃ / CH₂Cl₂ / -78 - 20 °C

4.1: pyridine / CH₂Cl₂ / -78 - 20 °C

With pyridine; n-butyllithium; boron trichloride; 1,1'-carbonyldiimidazole; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/jo0352023