4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester

Base Information

Chemical Name:4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester
CAS No.:138333-09-2
Molecular Formula:C₁₃H₁₅F₃O₅S
Molecular Weight:340.32
Hs Code.:
DSSTox Substance ID:DTXSID30436075
Wikidata:Q82251274
Mol file:138333-09-2.mol

Synonyms:4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester;138333-09-2;ethyl (2S)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate;SCHEMBL9773201;DTXSID30436075;UDJNHUAEPSYCRU-NSHDSACASA-N

Suppliers and Price of 4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyricAcid,EthylEster
50mg
$ 615.00

TRC
4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyricAcid,EthylEster
5mg
$ 85.00

Medical Isotopes, Inc.
4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyricAcid,EthylEster
10 mg
$ 875.00

American Custom Chemicals Corporation
4-PHENYL-2-(S)-TRIFLUOROMETHANESULFONYLOXY-BUTYRIC ACID, ETHYL ESTER 95.00%
100MG
$ 1732.50

American Custom Chemicals Corporation
4-PHENYL-2-(S)-TRIFLUOROMETHANESULFONYLOXY-BUTYRIC ACID, ETHYL ESTER 95.00%
1MG
$ 837.38

Total 3 raw suppliers

Chemical Property of 4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester

Chemical Property:

PSA：78.05000
LogP:3.49790
Solubility.:Chloroform, Dichloromethane
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:340.05922923
Heavy Atom Count:22
Complexity:449

Purity/Quality:

97% ^*data from raw suppliers

4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyricAcid,EthylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F
Isomeric SMILES:CCOC(=O)[C@H](CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F
Uses 4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester (cas# 138333-09-2) is a compound useful in organic synthesis.

Technology Process of 4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl Ester

There total 7 articles about 4-Phenyl-2-(S)-trifluoromethanesulfonyloxy-butyric Acid, Ethyl 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%

: 358-23-6
trifluoromethylsulfonic anhydride

: 90315-82-5
ethyl (R)-2-hydroxy-4-phenylbutyrate

: 88767-98-0,138333-09-2
ethyl (R)-4-phenyl-2-<<(trifluoromethyl)sulfonyl>oxy>butyrate

Guidance literature:: With pyridine; In dichloromethane; at 0 ℃; for 0.5h;
DOI:10.1021/jm00394a009

Reference yield: 86.0%

: 358-23-6
trifluoromethylsulfonic anhydride

: 93921-85-8
ethyl 2-hydroxy-4-phenylbutanoate

: 90365-91-6,150822-65-4,138333-09-2
(-)-α-[(Trifluoromethyl)sulfonyl]oxy-4-phenylbutyric acid,ethyl ester

Guidance literature:: With 2,6-dimethylpyridine; In dichloromethane; at -78 ℃; for 0.0833333h;

Reference yield:

: 1914-59-6
(E)-2-oxo-4-phenyl-3-butenoic acid

: 88767-98-0,138333-09-2
ethyl (R)-4-phenyl-2-<<(trifluoromethyl)sulfonyl>oxy>butyrate

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / p-toluenesulfonic acid*H₂O / benzene / 5 h / Heating

2: 29 percent / H₂ / 5percent Pd/C / propan-2-ol / 5 h / 50 °C / 2280 Torr

3: 86 percent / KOH / ethanol / 16 h / Ambient temperature

4: 98 percent / conc. H₂SO₄ / 16 h / Ambient temperature

5: 100 percent / pyridine / CH₂Cl₂ / 0.5 h / 0 °C

With pyridine; potassium hydroxide; sulfuric acid; hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In ethanol; dichloromethane; isopropyl alcohol; benzene;
DOI:10.1021/jm00394a009