(S)-1-(tert-Butoxycarbonyl)-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1217720-94-9
• Molecular Formula: C18H22F3NO4
• Molecular Weight: 373.37
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00428028
• Wikidata: Q82240796
• Mol file: 1217720-94-9.mol

Synonyms:1217720-94-9;(S)-1-(tert-Butoxycarbonyl)-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(4-trifluoromethyl-benzyl)-proline;Boc-(S)-|A-(4-trifluoromethylbenzyl)-Pro-OH;Boc-(S)-alpha-(4-trifluoromethylbenzyl)-Pro-OH;(S)-1-(tert-Butoxycarbonyl)-2-(4-(trifluoromethyl)-benzyl)pyrrolidine-2-carboxylic acid;starbld0000467;DTXSID00428028;NZVYODUEBIJKKN-KRWDZBQOSA-N;MFCD06796804;HY-W142051;CS-0201836;Boc-(S)- alpha -(4-trifluoromethylbenzyl)-Pro-OH;J-004650;Boc-(S)-alpha-(4-trifluoromethylbenzyl)-Pro-OH, >=98.0% (HPLC)

Chemical Property of (S)-1-(tert-Butoxycarbonyl)-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• PSA: 66.84000
• LogP: 4.04010
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 373.15009267
• Heavy Atom Count: 26
• Complexity: 536

Purity/Quality:

98%min ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(4-(trifluoromethyl)-benzyl)pyrrolidine-2-carboxylic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=C(C=C2)C(F)(F)F)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=C(C=C2)C(F)(F)F)C(=O)O