ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate

Basic Information

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CAS Number

88767-98-0

Molecular Formula

C13H15F3O5S

Molecular Weight

340.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

390.81°C at 760 mmHg

Density

1.348

Flash Point

190.155°C

Refractive Index

1.4520 to 1.4560

SMILES

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CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H15F3O5S/c1-2-20-12(17)11(21-22(18,19)13(14,15)16)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1

InChIKey

UDJNHUAEPSYCRU-LLVKDONJSA-N

LogP

2.4171000000000005

Topological Polar Surface Area

69.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

449

Synonyms & References

English

Ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate
Ethyl (R)-2-hydroxy-4-phenylbutyrate triflate
Ethyl (R)-[alpha-(trifluoromethylsulfonyl)oxy]benzenebutanoate
alpha-[[(Trifluoromethyl)sulfonyl]oxy]-benzenebutanoic acid ethyl ester
Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate
(R)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL TRIFLUOROMETHANESULFONATE
ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
Ethyl (R)-4-phenyl-2-[[(trifluoromethyl)-sulfonyl]oxy]butyrate
(R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester
Benzenebutanoic acid, α-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester, (R)- (ZCI)
Ethyl (αR)-α-[[(trifluoromethyl)sulfonyl]oxy]benzenebutanoate (ACI)
Ethyl (R)-[α-(trifluoromethylsulfonyl)oxy]benzenebutanoate
Ethyl 2(R)-[(trifluoromethylsulfonyl)oxy]-4-phenylbutyrate
Ethyl 2-(R)-trifluoromethanesulfonyloxy-4-phenylbutanoate
SCHEMBL5674353
AC-4329
C13H15F3O5S
CS-0187388
Ethyl(R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate
ETHYL (2R)-4-PHENYL-2-(TRIFLUOROMETHANESULFONYLOXY)BUTANOATE
E0879
Ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
Ethyl (R)-2-Hydroxy-4-phenylbutyrate Triflate
AKOS015902169
DB-004033
DTXSID10446233
(R)-ethyl 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
SC4231
ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate
Ethyl (2R)-4-phenyl-2-[(trifluoromethanesulfonyl)oxy]butanoate
ethyl 4-phenyl-2-(R)-trifluoromethanesulfonyloxybutyrate

MDL Number

MFCD09751096

Customs Code

2916399090

FAQ

What regulatory guidelines apply to ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate (CAS: 88767-98-0)?

Ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate (CAS: 88767-98-0) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties such as flammability, toxicity, and reactivity. It is also regulated under the REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the European Union, requiring manufacturers and importers to register the substance if the annual tonnage exceeds 1 ton. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific regulatory requirements depending on its intended use.

Are there alternatives to ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate in synthesis?

Alternatives to ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate in synthesis include various diesters and esters with different substituents, such as ethyl (S)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate or ethyl (R)-4-phenyl-2-[[(chloromethyl)sulfonyl]oxy]butyrate. Other common alternatives include using similar synthetic strategies with different functional groups or reagents, such as acetyl chloride or other triflate esters.

What is the market or research trend for ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate?

The market for ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate is driven by its use in pharmaceuticals, agrochemicals, and analytical chemistry. Research trends focus on its application in drug development, as a reagent in organic synthesis, and for its potential as a precursor in the synthesis of other chemicals. The trend shows a growing interest in its use as a versatile intermediate in various chemical processes, driven by increasing demand in the pharmaceutical and chemical industries.

How should waste containing ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate (CAS: 88767-98-0) be handled?

Waste containing ethyl (R)-4-phenyl-2-[[(trifluoromethyl)sulfonyl]oxy]butyrate (CAS: 88767-98-0) should be collected in appropriate containers and stored separately to avoid contamination. Proper disposal methods include incineration or professional waste disposal services that comply with local and international regulations. Environmental protection measures should include ensuring no spillage during handling and storage, and following all safety guidelines to prevent accidental release of the substance into the environment. Special precautions should be taken to ensure the waste is treated in accordance with the GHS and REACH regulations.