1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate supplier

Name
N-BOC-TRANS-4-HYDROXY-D-PROLINE METHYL ESTER
EINECS 828-101-2
CAS No. 135042-17-0
Article Data47
CAS DataBase
Density 1.217 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₉NO₅
Boiling Point 335.244 °C at 760 mmHg
Molecular Weight 245.276
Flash Point 156.55 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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)-;
PSA 76.07000
LogP 0.46760

1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate Specification

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

Product Name

N-BOC-TRANS-4-HYDROXY-D-PROLINE METHYL ESTER

1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate Specification

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