![(S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aMinocarbonyl]-propyl)-carbaMic acid tert-butyl ester structure, CAS 870281-84-8](/structures/210000/180837_2_870281_84_8.png)
CAS Number870281-84-8
SynonymsCAL-101(N-3); (S)-tert-butyl (1-(2-fluoro-6-nitro-N-phenylbenzamido)-1-oxobutan-2-yl)carbamate; (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aminocarbonyl]-propyl)-carbamic acid tert-butyl ester; 2-Methyl-2-propanyl {(2S)-1-[(2-fluoro-6-nitrobenzoyl)(phenyl)amino]-1-oxo-2-butanyl}carbamate; [(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester
Molecular FormulaC22H24FN3O6
Molecular Weight445.441
Purity98%%
Density1.3±0.1 g/cm3
Boiling Point606.8±55.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 870281-84-8 |
| Catalog No. | 2A-4180039 |
| Chinese Name | [(1S)-1-[[(2-氟-6-硝基苯甲酰)苯基氨基]羰基]丙基]氨基甲酸叔丁酯 |
| Synonyms | CAL-101(N-3); (S)-tert-butyl (1-(2-fluoro-6-nitro-N-phenylbenzamido)-1-oxobutan-2-yl)carbamate; (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aminocarbonyl]-propyl)-carbamic acid tert-butyl ester; 2-Methyl-2-propanyl {(2S)-1-[(2-fluoro-6-nitrobenzoyl)(phenyl)amino]-1-oxo-2-butanyl}carbamate; [(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester |
| Molecular Formula | C22H24FN3O6 |
| Molecular Weight | 445.441 |
| Purity | 98% |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 606.8±55.0 °C at 760 mmHg |
| Water Solubility | Insuluble (4.3E-3 g/L) (25 ºC) |
| PubChem ID | 141870590 |
| SMILES | CCC(NC(=O)OC(C)(C)C)C(=O)N(C(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 |
| InChI | InChI=1S/C22H24FN3O6/c1-5-16(24-21(29)32-22(2,3)4)19(27)25(14-10-7-6-8-11-14)20(28)18-15(23)12-9-13-17(18)26(30)31/h6-13,16H,5H2,1-4H3,(H,24,29)/t16-/m0/s1 |
| InChI Key | MVGXHIWNOAUFLP-INIZCTEOSA-N |
| Transport Info | Product name: Idelalisi intermediate |
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