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256487-77-1

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Basic Information
CAS No.: 256487-77-1
Name: N-Boc-4-oxo-L-proline methyl ester
Article Data: 16
Molecular Structure:
Molecular Structure of 256487-77-1 (N-Boc-4-oxo-L-proline methyl ester)
Formula: C11H17NO5
Molecular Weight: 243.26
Synonyms: 1-tert-Butyl2-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;
Density: 1.21 g/cm3
Melting Point: 42-46℃
Boiling Point: 333.149 °C at 760 mmHg
Flash Point: 155.283 °C
Hazard Symbols: R20/21/22:; R41:;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 72.91000
LogP: 0.67580
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  • N-Boc-4-oxo-L-prolinemethylester 256487-77-1

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  • (R)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate

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    (R)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate

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Specification

The 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R)- is an organic compound with the formula C11H17NO5. The systematic name of this chemical is 1-tert-butyl 2-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate. With the CAS registry number 256487-77-1, it is also named as (R)-1-tert-butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate.

Physical properties about 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R)- are: (1)ACD/LogP: 0.50; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 25; (5)ACD/KOC (pH 7.4): 25; (6)#H bond acceptors: 6; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 72.91 Å2; (9)Index of Refraction: 1.488; (10)Molar Refractivity: 57.909 cm3; (11)Molar Volume: 201.069 cm3; (12)Polarizability: 22.957×10-24cm3; (13)Surface Tension: 43.98 dyne/cm; (14)Density: 1.21 g/cm3; (15)Flash Point: 155.283 °C; (16)Enthalpy of Vaporization: 57.598 kJ/mol; (17)Boiling Point: 333.149 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)OC)CC(=O)C1
(2)InChI: InChI=1/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m1/s1
(3)InChIKey: UPBHYYJZVWZCOZ-MRVPVSSYBM
(4)Std. InChI: InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m1/s1
(5)Std. InChIKey: UPBHYYJZVWZCOZ-MRVPVSSYSA-N