3-​[2-​(Trifluoromethyl)​phenyl]​propionic Acid

CAS: 94022-99-8

Ref. TR-T791630

Product Information

• Name: 3-​[2-​(Trifluoromethyl)​phenyl]​propionic Acid
• Synonyms: -(Trifluoromethyl)benzenepropanoic Acid, 3-(2-Trifluoromethylphenyl)propanoic Acid,3-[2-(Trifluoromethyl)phenyl]propionic Acid, 2-(Trifluoromethyl)benzenepropanoic acid, 3-(2-Trifluoromethylphenyl)propanoic acid, 3-[2-(Trifluoromethyl)Phenyl]Propanoic Acid, 3-[2-(Trifluoromethyl)phenyl]propionic acid, 3-[O-(Alpha,Alpha,Alpha-Trifluorotolyl)]Propionic Acid, Benzenepropanoic acid, 2-(trifluoromethyl)-

Description

Applications 3-​[2-​(Trifluoromethyl)​phenyl]​propionic Acid is a reactant used in the synthesis of small molecule inhibitors of anthrax toxin.
References Williams, J. et al.: Bioorg. Med. Chem., 22, 419 (2014);

• Brand: TRC

Chemical properties

• Molecular weight: 949.127
• Formula: C₄₇H₈₀O₁₉
• Color/Form: Neat
• InChI: InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3/t20-,21-,23+,24+,25?,26?,27-,28+,29?,30?,31+,32?,33?,34+,35?,36?,37?,38+,39-,40-,41+,42+,45+,46-,47-/m1/s1
• InChI key: InChIKey=MOWDSRSBTXORLO-ZMXCLZPESA-N
• SMILES: C[C@@H](C(O)[C@H](O)[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5OC(CO[C@@H]6OC(CO)[C@H](O)C(O)C6O)[C@H](O[C@@H]6OC[C@H](O)C(O)C6O)C(O)C5O)C4(C)C)[C@]3(C)CC[C@]12C