Methoxycarbonyl-L-tert-leucine
Synonym(s):(2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid;N-Methoxycarbonyl-3-methyl-L -valine
- CAS NO.：162537-11-3
- Empirical Formula: C8H15NO4
- Molecular Weight: 189.21
- MDL number: MFCD07778455
- EINECS: 431-620-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-02 08:55:14
What is Methoxycarbonyl-L-tert-leucine?
Chemical properties
White Solid
The Uses of Methoxycarbonyl-L-tert-leucine
The coupling of the two key intermediates, N-(methoxycarbonyl)-l-tert-leucine acylated benzyl hydrazine and chloromethyl ketone, via an S N 2 reaction furnished the amino ketone in high yield under our optimized conditions in practical synthesis of the HIV Protease Inhibitor Atazanavir via a Highly diastereoselective Reduction Approach.
Flammability and Explosibility
Not classified
Properties of Methoxycarbonyl-L-tert-leucine
| Melting point: | 1090C |
| Boiling point: | 320.9±25.0 °C(Predicted) |
| Density | 1.126±0.06 g/cm3(Predicted) |
| vapor pressure | 0Pa at 25℃ |
| storage temp. | 2-8°C |
| solubility | Soluble in ethyl acetate and methanol. |
| form | powder |
| pka | 4.46±0.10(Predicted) |
| color | White to off-white |
| Water Solubility | 26.4g/L at 20℃ |
| InChI | InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1 |
Safety information for Methoxycarbonyl-L-tert-leucine
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for Methoxycarbonyl-L-tert-leucine
| InChIKey | NWPRXAIYBULIEI-RXMQYKEDSA-N |
| SMILES | C(O)(=O)[C@H](C(C)(C)C)NC(OC)=O |
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