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| CAS No.: | 102195-80-2 |
|---|---|
| Name: | BOC-4-OXO-PRO-OME |
| Article Data: | 13 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C11H17NO5 |
| Molecular Weight: | 243.26 |
| Synonyms: | 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-;(2S)-4-Oxo-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid methyl ester;1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;tert-Butyl(2S)-2-(methoxycarbonyl)-4-oxopyrrolidine-1-carboxylate;Boc-4-oxo-Pro-OMe; |
| EINECS: | 625-165-1 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 35-40 °C |
| Boiling Point: | 333.149 °C at 760 mmHg |
| Flash Point: | 155.283 °C |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-41 |
| Safety: | 26-36/37-39 |
| PSA: | 72.91000 |
| LogP: | 0.67580 |
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Specification
The N-Boc-4-Oxo-L-proline methyl ester , with cas registry number of 102195-80-2, is also called (S)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate . Its IUPAC name is called 1-O-tert-butyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate . And its systematic name is called 1-tert-butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate . It belongs to categories of Amino Acids; Boc-Amino Acids and Derivative; Boc-Amino acid series.
Physical properties of N-Boc-4-Oxo-L-proline methyl ester are: (1) ACD/LogP: 0.50 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0 ; (4) ACD/LogD (pH 7.4): 0 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 25 ; (8) ACD/KOC (pH 7.4): 25 ; (9) #H bond acceptors: 6 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Index of Refraction: 1.488 ; (13) Molar Refractivity: 57.909 cm3 ; (14) Molar Volume: 201.069 cm3 ; (15) Surface Tension: 43.98 dyne/cm ; (16) Density: 1.21 g/cm3 ; (17) Flash Point: 155.283 °C ; (18) Enthalpy of Vaporization: 57.598 kJ/mol ; (19) Boiling Point: 333.149 °C at 760 mmHg ; (20) Alpha: 14 o (C=1 IN chloroform).
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It has the risk of serious damage to the eyes.When use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES:CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)OC;
(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-/m0/s1;
(3) InChIKey:UPBHYYJZVWZCOZ-QMMMGPOBBK