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| CAS No.: | 203866-15-3 |
|---|---|
| Name: | N-BOC-4,4-difluoro-L-proline |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C10H15F2NO4 |
| Molecular Weight: | 251.23 |
| Synonyms: | 1,2-Pyrrolidinedicarboxylicacid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester, (S)-;(2S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarboxylic acid;(2S)-1-tert-Butoxycarbonyl-4,4-difluoropyrrolidine-2-carboxylic acid; |
| Density: | 1.312 g/cm3 |
| Melting Point: | 120-124 °C |
| Boiling Point: | 340.386 °C at 760 mmHg |
| Flash Point: | 159.66 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 66.84000 |
| LogP: | 1.65360 |
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Specification
The N-BOC-4,4-difluoro-L-proline ,its cas register number is .It also can be called as (S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid and the IUPAC name about this chemical is (2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid . It can be stored at 0-5°C.It belongs to the following product categories, such as Chiral Building Blocks, Heterocyclic Building Blocks, Pyrrolidines and so on.It can be used as pharmaceutical intermediates.
Following are the chemical properties about N-BOC-4,4-difluoro-L-proline :(1)#H bond acceptors: 5 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 66.84Å2 ; (5)Index of Refraction: 1.474 ; (6)Molar Refractivity: 53.92 cm3 ; (7)Molar Volume: 191.5 cm3 ; (8)Polarizability: 21.37x10-24cm3 ; (9)Surface Tension: 40.6 dyne/cm ; (10)Enthalpy of Vaporization: 64.17 kJ/mol ; (11)Vapour Pressure: 1.58E-05 mmHg at 25°C
The N-BOC-4,4-difluoro-L-proline is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, you need to wear suitable protective clothing and gloves and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
This chemical can be described computed from structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F
(2)Isomeric SMILES: CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)O)(F)F
(3)InChI: InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m0/s1
(4)InChIKey: WTMZYKCXBXPVPT-LURJTMIESA-N