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

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 706806-65-7
• Molecular Formula: C₁₇H₂₂FNO₄
• Molecular Weight: 323.364
• Hs Code.: 2933990090
• European Community (EC) Number: 634-728-0
• DSSTox Substance ID: DTXSID40426200
• Nikkaji Number: J1.945.765F
• Wikidata: Q82239164
• Mol file: 706806-65-7.mol

Synonyms:706806-65-7;(S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(4-fluorobenzyl)-proline;(2S)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;BOC-(S)-ALPHA-(4-FLUORO-BENZYL)-PROLINE;MFCD06797545;(S)-1-Boc-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid;DTXSID40426200;(S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)-pyrrolidine-2-carboxylic acid;(S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylicacid;N-Boc-2-(4-fluorobenzyl)-D-proline;PS-12081;Boc-(R)- alpha -(4-fluorobenzyl)-Pro-OH;Boc-(S)- alpha -(4-fluorobenzyl)-Pro-OH;A866567;1-(tert-Butoxycarbonyl)-2-[(4-fluorophenyl)methyl]-D-proline;Boc-(S)-alpha-(4-fluorobenzyl)-Pro-OH, >=98.0% (HPLC);(2S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid

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

Chemical Property:

• Vapor Pressure: 8.69E-09mmHg at 25°C
• Melting Point: 190-192℃
• Refractive Index: 1.543
• Boiling Point: 447.4 °C at 760 mmHg
• Flash Point: 224.4 °C
• PSA: 66.84000
• Density: 1.242 g/cm³
• LogP: 3.16040
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 323.15328635
• Heavy Atom Count: 23
• Complexity: 454

Purity/Quality:

98.5% ^*data from raw suppliers

Boc-(S)-α-(4-fluorobenzyl)-Pro-OH ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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