2-Benzyl 1-(2-Methyl-2-Propanyl) (2S,4R)-4-(4-Methylbenzyl)-5-Oxo-1,2-Pyrrolidinedicarboxylate
[CAS# 401813-50-1]

Identification

• Name: 2-Benzyl 1-(2-Methyl-2-Propanyl) (2S,4R)-4-(4-Methylbenzyl)-5-Oxo-1,2-Pyrrolidinedicarboxylate
• Synonyms: (4R)-Boc-4-(4-methylbenzyl)-L-pyroglutamic acid benzyl ester; (4R)-Boc-4-(4-methylbenzyl)-Pyr-OBzl; Benzyl (2S,4R)-1-Boc-4-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxylate
• Molecular Formula: C₂₅H₂₉NO₅
• Molecular Weight: 423.50
• CAS Registry Number: 401813-50-1
• SMILES: O=C(OC(C)(C)C)N2C(=O)[C@@H](C[C@H]2C(=O)OCc1ccccc1)Cc3ccc(cc3)C
• InChI: 1S/C25H29NO5/c1-17-10-12-18(13-11-17)14-20-15-21(23(28)30-16-19-8-6-5-7-9-19)26(22(20)27)24(29)31-25(2,3)4/h5-13,20-21H,14-16H2,1-4H3/t20-,21+/m1/s1
• InChIKey: VKNAYMXEGGFDHX-RTWAWAEBSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 569.353°C at 760 mmHg (Cal.)
• Flash point: 298.134°C (Cal.)
• Refractive index: 1.566 (Cal.)