1-(Tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-(Tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
• CAS No.: 939757-95-6
• Molecular Formula: C16H20FNO4
• Molecular Weight: 309.33
• DSSTox Substance ID: DTXSID90585619,DTXSID501156809
• Mol file: 939757-95-6.mol

Synonyms:939757-95-6;1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;455954-94-6;4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;1-Boc-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid;(+/-)-trans-1-Boc-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid;1218764-13-6;(3R,4S)-1-tert-Butoxycarbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;4-(4-fluorophenyl)pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester;trans-1-boc-4-(4-fluorophenyl)-pyrrolidine-3-carboxylic acid;CS-WAA0221;SCHEMBL4004826;DTXSID90585619;(3S,4R)-1-[(tert-butoxy)carbonyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;VRCJPGMBINFMCH-UHFFFAOYSA-N;DTXSID501156809;AKOS015841223;SB10321;SB10322;4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;CS-13142;D72285;EN300-1454190;1-(1,1-Dimethylethyl) 4-(4-fluorophenyl)-1,3-pyrrolidinedicarboxylate;1-[(tert-butoxy)carbonyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;4-(4-fluoro-phenyl)-pyrrolidine-1,3-dicarboxylicacid1-tert-butylester;(+)-4-(4-Fluoro-phenyl)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

Chemical Property of 1-(Tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• Boiling Point: 439.9±45.0 °C(Predicted)
• PKA: 4.30±0.40(Predicted)
• PSA: 66.84000
• Density: 1.249±0.06 g/cm3(Predicted)
• LogP: 2.79870
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 309.13763628
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-Boc-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)F