(S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
- CAS NO.:74761-42-5
- Empirical Formula: C7H13NO4
- Molecular Weight: 175.18
- MDL number: MFCD12795357
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-08-17 18:11:45
What is (S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid?
The Uses of (S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
(S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid can be used as Ledipasvir Intermediate, mainly used in laboratory R&D process and chemical production process.
Synthesis
Na2CO3 (1.83 g, 17.2 mmol) was added to an aq solution of NaOH (33 mL of 1 M/H2O, 33 mmol) and L-valine (3.900 g, 33.29 mmol) and the resulting solution was cooled with ice-water bath. Methyl chloroformate (2.8 mL, 36.1 mmol) was added dropwise, the cooling bath was removed and the reaction mixture was stirred at ambient temperature for 3.25 h. The reaction mixture was washed with ether (3x17 mL), and the aqueous phase was cooled with ice-water bath and acidified with conc HCl to a pH of 1-2, and extracted with CH2Cl2 (3x17 mL). The organic phase was dried (anhyd MgSO4), filtered, and concentrated in vacuo. Cap-1 as a white solid (5.00 g, 86%).
Properties of (S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
Melting point: | 109.0 to 113.0 °C |
Boiling point: | 315.9±25.0 °C(Predicted) |
Density | 1.154±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
form | powder to crystal |
pka | 4.44±0.10(Predicted) |
color | White to Almost white |
InChI | InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1 |
Safety information for (S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for (S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid
InChIKey | CEFVHPDFGLDQKU-YFKPBYRVSA-N |
SMILES | C(O)(=O)[C@H](C(C)C)NC(OC)=O |
Abamectin manufacturer
SYNGREEN LIFESCIENCES PVT.LTD
SV CHEM INTERMEDITES PRIVATE LIMITED
Lakshmi Farmachem
Atul Bioscience Ltd
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