(S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid Chemical Properties

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

InChIKey

CEFVHPDFGLDQKU-YFKPBYRVSA-N

SMILES

C(O)(=O)[C@H](C(C)C)NC(OC)=O

Safety Information

HS Code 

2924297099

(S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid Usage And Synthesis

Uses

(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%).

(S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid(74761-42-5)Related Product Information

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