trans-1-(Tert-butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: trans-1-(Tert-butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
• CAS No.: 851485-00-2
• Molecular Formula: C16H20 Cl N O4
• Molecular Weight: 325.79
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID801005570
• Wikidata: Q83001007
• Mol file: 851485-00-2.mol

Synonyms:851484-56-5;TRANS-1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;851485-00-2;Boc-trans-DL-b-Pro-4-(4-chlorophenyl)-OH;(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;Trans-1-Boc-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;(3S,4R)-4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(3S,4R)-1-BOC-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;trans-1-Boc-4-(4-chlorophenyl)-pyrrolidine-3-carboxylic acid;SCHEMBL1267217;1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;DTXSID801005570;TRANS (+/-) 1-[(TERT-BUTYL)OXYCARBONYL]-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;MFCD02089477;AKOS015838275;AS-50437;EN300-219238;P10215;A929151;(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylicacid;(3S,4R)-1-[(tert-butoxy)carbonyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;(S,R)-1-[(tert-butyl)oxycarbonyl]-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

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

Chemical Property:

• Vapor Pressure: 1.9E-09mmHg at 25°C
• Melting Point: 185-187℃
• Refractive Index: 1.557
• Boiling Point: 465.1°C at 760 mmHg
• PKA: 4.27±0.40(Predicted)
• Flash Point: 235.1°C
• PSA: 66.84000
• Density: 1.275g/cm³
• LogP: 3.31300
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 325.1080858
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

NLT 98% ^*data from raw suppliers

trans-1-Boc-4-(4-chlorophenyl)-pyrrolidine-3-carboxylicacid 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)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)Cl
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)Cl