Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate |
EINECS | 828-101-2 |
CAS No. | 135042-17-0 | Density | 1.217 g/cm3 |
PSA | 76.07000 | LogP | 0.46760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H19NO5 | Boiling Point | 335.244 °C at 760 mmHg |
Molecular Weight | 245.276 | Flash Point | 156.55 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2R,4S)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester;1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R-trans)-; |
Article Data | 47 |
The N-Boc-trans-4-hydroxy-d-proline methyl ester, with CAS registry number 135042-17-0, has the systematic name of 1-tert-butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate. Besides this, it is also called (2R,4S)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate. And the chemical formula of this chemical is C11H19NO5.
Physical properties of N-Boc-trans-4-hydroxy-d-proline methyl ester: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 65.07 Å2; (7)Index of Refraction: 1.5; (8)Molar Refractivity: 59.36 cm3; (9)Molar Volume: 201.5 cm3; (10)Polarizability: 23.53×10-24cm3; (11)Surface Tension: 46.9 dyne/cm; (12)Density: 1.216 g/cm3; (13)Flash Point: 156.6 °C; (14)Enthalpy of Vaporization: 67 kJ/mol; (15)Boiling Point: 335.2 °C at 760 mmHg; (16)Vapour Pressure: 8.47E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)OC)C[C@H](O)C1
(2)InChI: InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m0/s1
(3)InChIKey: MZMNEDXVUJLQAF-JGVFFNPUBA
(4)Std. InChI: InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m0/s1
(5)Std. InChIKey: MZMNEDXVUJLQAF-JGVFFNPUSA-N