158257-41-1

Basic information

• Product Name: Z-L-Valine NCA
• Synonyms: Z-L-Valine NCA;Valine NCA;Z-VAINE NCA[FOR VALGANCICLOVIR];Z-Valine, NCA;(S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione;(S)-4-(1-Methylethyl)-2,5-dioxo-3-oxazolidinecarboxylic Acid Phenylmethyl Ester;N-Cbz-L-valine N-Carboxyanhydride;(S)-benzyl 4-isopropyl-2,5-dioxooxazolidine-3-carboxylate
• CAS NO: 158257-41-1
• Molecular Formula: C14H15NO5
• Molecular Weight: 277.275
• Product Categories: AMINOACIDS DERIVATIVES;Amino Acids 13C, 2H, 15N;Amino Acids & Derivatives;Chiral Reagents;Heterocycles
• Mol File: 158257-41-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 367.988 °C at 760 mmHg
• Flash Point: 176.353 °C
• Appearance: /
• Density: 1.294 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.553
• Solubility: Chloroform, Tetrahydrofuran
• PKA: -3.15±0.40(Predicted)
• CAS DataBase Reference: Z-L-Valine NCA(CAS DataBase Reference)
• NIST Chemistry Reference: Z-L-Valine NCA(158257-41-1)
• EPA Substance Registry System: Z-L-Valine NCA(158257-41-1)

Safety Data

• Hazardous Substances Data: 158257-41-1(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

InChI:InChI=1/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1

Upstream product

• 501-53-1 benzyl chloroformate 
• 2816-12-8 4-isopropyl-2,5-oxazolidinedione 
• 1149-26-4 (S)-N-(benzyloxycarbonyl)valine 
• 530-62-1 1,1'-carbonyldiimidazole 

Relevant articles and documents

Preparation technology of (S)-3-carbobenzoxy-4-isopropyl-2,5-oxazolidinedione

The invention provides a preparation technology of (S)-3-carbobenzoxy-4-isopropyl-2,5-oxazolidinedione. The (S)-3-carbobenzoxy-4-isopropyl-2,5-oxazolidinedione can serve as a valganciclovir hydrochloride intermediate. The technology includes the following operations that an L-valine starting material reacts with benzyl chloroformate to generate N-carbobenzoxy-L-valine; the N-carbobenzoxy-L-valinereacts with N,N-carbonyl diimidazole (CDI) to generate the (S)-3-carbobenzoxy-4-isopropyl-2,5-oxazolidinedione. The preparation technology is simple in method, purification is easy, the process is stable, the quality is controllable, the product yield is greatly improved, environmental pollution is not caused, and the technology is suitable for industrial mass production.