1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(4-nitrophenyl) ester, (2S)- supplier

Name
BOC-PRO-ONP
EINECS
CAS No. 28310-65-8
Article Data4
CAS DataBase
Density 1.284 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₀N₂O₆
Boiling Point 463.6 °C at 760 mmHg
Molecular Weight 336.345
Flash Point 234.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(4-nitrophenyl) ester, (S)-;1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl p-nitrophenyl ester, L- (8CI);N-tert-Butoxycarbonyl-L-proline p-nitrophenyl ester;NSC 164055;
PSA 101.66000
LogP 3.36080

1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(4-nitrophenyl) ester, (2S)- Specification

The CAS register number of 1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(4-nitrophenyl) ester, (2S)- is 28310-65-8. It also can be called as N-tert-Butoxycarbonyl-L-proline p-nitrophenyl ester and the IUPAC name about this chemical is 1-O-tert-butyl 2-O-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate. The molecular formula about this chemical is C₁₆H₂₀N₂O₆ and the molecular weight is 336.34.

Physical properties about 1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(4-nitrophenyl) ester, (2S)- are: (1)ACD/LogP: 2.34; (2)#H bond acceptors: 8; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 101.66 Å²; (5)Index of Refraction: 1.555; (6)Molar Refractivity: 84.19 cm³; (7)Molar Volume: 261.9 cm³; (8)Polarizability: 33.37x10^-24cm³; (9)Surface Tension: 52 dyne/cm; (10)Density: 1.284 g/cm³; (11)Flash Point: 234.2 °C; (12)Enthalpy of Vaporization: 72.49 kJ/mol; (13)Boiling Point: 463.6 °C at 760 mmHg; (14)Vapour Pressure: 8.96E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(OC(=O)C1N(C(=O)OC(C)(C)C)CCC1)cc2
(2)InChI: InChI=1/C16H20N2O6/c1-16(2,3)24-15(20)17-10-4-5-13(17)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-9,13H,4-5,10H2,1-3H3
(3)InChIKey: GUVOBXQVANZIKH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H20N2O6/c1-16(2,3)24-15(20)17-10-4-5-13(17)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-9,13H,4-5,10H2,1-3H3
(5)Std. InChIKey: GUVOBXQVANZIKH-UHFFFAOYSA-N

Product Name

BOC-PRO-ONP

1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(4-nitrophenyl) ester, (2S)- Specification

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