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

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(4-methylbenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 706806-63-5
• Molecular Formula: C18H25 N O4
• Molecular Weight: 319.4
• DSSTox Substance ID: DTXSID901131261
• Nikkaji Number: J1.945.762A
• Mol file: 706806-63-5.mol

Synonyms:706806-63-5;(S)-1-(tert-Butoxycarbonyl)-2-(4-methylbenzyl)pyrrolidine-2-carboxylic acid;BOC-(S)-ALPHA-(4-METHYL-BENZYL)-PROLINE;(2S)-2-[(4-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;Boc-(S)-alpha-(4-methylbenzyl)-proline;DTXSID901131261;MFCD06797543;(S)-1-(tert-Butoxycarbonyl)-2-(4-methylbenzyl)pyrrolidine-2-carboxylicacid;AKOS015949611;PS-12565;(2S)-1-(tert-Butoxycarbonyl)-2-(4-methylbenzyl)-2-pyrrolidinecarboxylic acid;(2S)-1-[(tert-butoxy)carbonyl]-2-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;1-(1,1-Dimethylethyl) (2S)-2-[(4-methylphenyl)methyl]-1,2-pyrrolidinedicarboxylate

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

Chemical Property:

• Vapor Pressure: 3.74E-09mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 457.2°C at 760 mmHg
• Flash Point: 230.3°C
• PSA: 66.84000
• Density: 1.173g/cm³
• LogP: 3.32970
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 319.17835828
• Heavy Atom Count: 23
• Complexity: 448

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(4-methylbenzyl)pyrrolidine-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC2(CCCN2C(=O)OC(C)(C)C)C(=O)O
• Isomeric SMILES: CC1=CC=C(C=C1)C[C@@]2(CCCN2C(=O)OC(C)(C)C)C(=O)O