(R)-α-[[(Trifluoromethyl)sulfonyl]oxy]-benzenebutanoic Acid tert-Butyl Ester - CAS 138276-17-2
Catalog: |
BB057185 |
Product Name: |
(R)-α-[[(Trifluoromethyl)sulfonyl]oxy]-benzenebutanoic Acid tert-Butyl Ester |
CAS: |
138276-17-2 |
Synonyms: |
tert-Butyl 2(R)-[(Trifluoromethylsulfonyl)oxy]-4-phenylbutyrate; (R)-α-[[(Trifluoromethyl)sulfonyl]oxy]-benzenebutanoic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate |
Description: | Used in the preparation of benzothiophenes, benzofurans, and indoles. |
Molecular Weight: | 368.37 |
Molecular Formula: | C15H19F3O5S |
Canonical SMILES: | CC(C)(C)OC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C15H19F3O5S/c1-14(2,3)22-13(19)12(23-24(20,21)15(16,17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1 |
InChI Key: | FRGJVBLCTPMQMQ-GFCCVEGCSA-N |
Solubility: | Chloroform, Ethyl Acetate |
Appearance: | Off-white Solid |
Storage: | Refrigerator |
Complexity: | 511 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 368.09052936 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 368.09052936 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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