1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone

Base Information

Chemical Name:1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone
CAS No.:286845-22-5
Molecular Formula:C₂₀H₁₉F₃O₇S
Molecular Weight:460.428
Hs Code.:
DSSTox Substance ID:DTXSID80455251
Wikidata:Q82277169

Synonyms:1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone;286845-22-5;SCHEMBL7593979;DTXSID80455251;DKYZMEBEWCKIJX-GOSISDBHSA-N

Suppliers and Price of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone

Supply Marketing:

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

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Chemical Property of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:460.08035860
Heavy Atom Count:31
Complexity:716

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(OCC(O1)C(=O)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F)C
Isomeric SMILES:CC1(OC[C@@H](O1)C(=O)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F)C

Technology Process of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone

There total 4 articles about 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone 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: 96.3%

: 15186-48-8
2,3-isopropylidene-glyceraldehyde

: 286844-91-5
1-(methylsulfonyl)-4-(4'-(trifluoromethoxy)phenoxy)benzene

: 286845-22-5
1-((4R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-(4-(4-trifluoromethoxyphenoxy)phenylsulfonyl)ethanone

Guidance literature:: 1-(methylsulfonyl)-4-(4'-(trifluoromethoxy)phenoxy)benzene; With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; hexane; at -40 - -30 ℃; Inert atmosphere; Large scale;

2,3-isopropylidene-glyceraldehyde; In tetrahydrofuran; hexane; at -40 - -30 ℃; Inert atmosphere; Large scale;
DOI:10.1021/op025525l

Reference yield: 79.0%

: 52373-72-5
methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

: 286844-91-5
1-(methylsulfonyl)-4-(4'-(trifluoromethoxy)phenoxy)benzene

: 286845-22-5
1-((4R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-(4-(4-trifluoromethoxyphenoxy)phenylsulfonyl)ethanone

Guidance literature:: 1-(methylsulfonyl)-4-(4'-(trifluoromethoxy)phenoxy)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate; In tetrahydrofuran; hexane; at -78 ℃; for 3h; Further stages.;
DOI:10.1021/jm0103920

Reference yield:

: 828-27-3
4-Trifluoromethoxyphenol

: 286845-22-5
1-((4R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-(4-(4-trifluoromethoxyphenoxy)phenylsulfonyl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: 89 percent / K₂CO₃ / pyridine / 18 h / 120 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 1 h / -78 °C

2.2: 79 percent / tetrahydrofuran; hexane / 3 h / -78 °C

With n-butyllithium; potassium carbonate; In tetrahydrofuran; pyridine; hexane;
DOI:10.1021/jm0103920