(±)-trans-1-(t-Butoxycarbonyl)-4-(3-trifluoromethylphenyl)pyrrolidine-3-carboxylic acid
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(±)-trans-1-(t-Butoxycarbonyl)-4-(3-trifluoromethylphenyl)pyrrolidine-3-carboxylic acid

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Boc-(±)-trans-4-(3-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic Acid is used to synthesize ring-constrained boropeptide thrombin inhibitors. It is also used to prepare substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors.

Category
BOC-Amino Acids
Catalog number
BAT-004489
CAS number
169248-97-9
Molecular Formula
C17H20F3NO4
Molecular Weight
359.34
(±)-trans-1-(t-Butoxycarbonyl)-4-(3-trifluoromethylphenyl)pyrrolidine-3-carboxylic acid
IUPAC Name
(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
Synonyms
Boc-(±)-trans-4-(3-trifluoromethylphenyl)pyrrolidine-3-carboxylic acid; BOC-(TRANS)-4-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID; BOC-TRANS-DL-PRO(3-TRIFLUOROMETHYLPHENYL)-OH; Boc-trans-DL-b-Pro-4-(3-trifluoromethylphenyl)-OH; Boc-trans-DL-β-Pro-4-(3-trifluoromethylphenyl)-OH
Appearance
White to off-white powder
Purity
≥ 99% (HPLC)
Density
1.297 g/cm3
Boiling Point
434.7 °C at 760 mmHg
Storage
Store at 2-8 °C
InChI
InChI=1S/C17H20F3NO4/c1-16(2,3)25-15(24)21-8-12(13(9-21)14(22)23)10-5-4-6-11(7-10)17(18,19)20/h4-7,12-13H,8-9H2,1-3H3,(H,22,23)/t12-,13+/m1/s1
InChI Key
UOAPWTFROWHGSC-OLZOCXBDSA-N
Canonical SMILES
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F
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