| Identification | |
| Name: | 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S)- |
| Synonyms: | 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, bis(1,1-dimethylethyl) ester, (2S)- (9CI);1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, bis(1,1-dimethylethyl) ester, (S)-;N-tert-Butoxycarbonylpyroglutamic acid tert-butyl ester;tert-ButylN-(tert-butoxycarbonyl)pyroglutamate; |
| CAS: | 91229-91-3 |
| Molecular Formula: | C14H23NO5 |
| Molecular Weight: | 285.34 |
| InChI: | InChI=1/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.102 |
| Refractive index: | 1.485 |
| Specification: |
The (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester , with cas registry number of 91229-91-3, is a kind of categories of chiral; Chiral Reagent . It is also known as 1-pyrrolidinecarboxylic acid, 2-(2,2-dimethyl-1-oxopropyl)-5-oxo-, 1,1-dimethylethyl ester, (2S)- . Its systematic name is called tert-butyl (2S)-2-(2,2-dimethylpropanoyl)-5-oxo-pyrrolidine-1-carboxylate . Physical properties about this chemical are: (1) ACD/LogP: 0.75 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.75 ; (4) ACD/LogD (pH 7.4): 0.75 ; (5) ACD/BCF (pH 5.5): 2.2 ; (6) ACD/BCF (pH 7.4): 2.2 ; (7) ACD/KOC (pH 5.5): 61.19 ; (8) ACD/KOC (pH 7.4): 61.19 ; (9) #H bond acceptors: 5 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Polar Surface Area: 63.68 Å2 ; (13) Index of Refraction: 1.485 ; (14) Molar Refractivity: 70.02 cm3 ; (15) Molar Volume: 244.2 cm3 ; (16) Surface Tension: 39.9 dyne/cm ; (17) Density: 1.102 g/cm3 ; (18) Flash Point: 193.9 °C ; (19) Enthalpy of Vaporization: 64.73 kJ/mol ; (20) Boiling Point: 396.9 °C at 760 mmHg ; (21) Vapour Pressure: 1.65E-06 mmHg at 25°C. In addition, you could convert the following data information into the molecular structure: |
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