N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

Base Information

• Chemical Name: N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester
• CAS No.: 1256490-31-9
• Molecular Formula: C18H21N2O7P
• Molecular Weight: 408.348
• Mol file: 1256490-31-9.mol

Synonyms:N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester;L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 1-Methylethyl ester;2. N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine;N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl este;isopropyl((S)-(4-nitrophenoxy)(phenoxy)phosphoryl)-L-alaninate;(S)-Isopropyl 2-(((S)-(4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate

Chemical Property of N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

Chemical Property:

• Melting Point: 62-66℃
• Boiling Point: 514.3±60.0 °C(Predicted)
• PKA: -5.78±0.70(Predicted)
• PSA: 129.49000
• Density: 1.302
• LogP: 5.00450
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol

Purity/Quality:

98% ^*data from raw suppliers

N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine1-MethylethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl Ester is an intermediate in the synthesis of Sofosbuvir (R)-Phosphate (S675615), which is an impurity of PSI-7977 (P839640), a prodrug that is metabolized to the active antiviral agent 2''-deoxy-2''-α-fluoro-β-C-methyluridine-5''-monophosphate and is currently being investigated in phase 3 clinical trials for the treatment of hepatitis C. Studies have profiled PSI-7977 as a nucleotide inhibitor of hepatitis C virus, exerting selective inhibitory effects towards HCV NS5B polymerase.

Technology Process of N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

There total 17 articles about N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 32.0%

p-nitrophenyl phenyl phosphorochloridate (793-10-2) + alanine isopropyl ester hydrochloride (39613-92-8,62062-56-0,62062-65-1) → (S)-2-[(S)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester (1256490-31-9)

Guidance literature:

p-nitrophenyl phenyl phosphorochloridate; alanine isopropyl ester hydrochloride; In dichloromethane; at 0 ℃; for 0.25h; Industrial scale;

With triethylamine; In dichloromethane; at 0 ℃; for 1h; Industrial scale;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + O-phenyl phosphorodichloridate (770-12-7) + alanine isopropyl ester hydrochloride (39613-92-8,62062-56-0,62062-65-1) → (S)-2-[(R)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester (1256490-49-9) + (S)-2-[(S)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester (1256490-31-9)

Guidance literature:

O-phenyl phosphorodichloridate; alanine isopropyl ester hydrochloride; With triethylamine; In dichloromethane; at -10 - -3 ℃; for 0.25h;

4-nitro-phenol; With triethylamine; In dichloromethane; at 20 ℃; Cooling;

Reference yield:

1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6) + alanine isopropyl ester hydrochloride (39613-92-8,62062-56-0,62062-65-1) → (S)-2-[(R)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester (1256490-49-9) + (S)-2-[(S)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester (1256490-31-9)

Guidance literature:

1-dichlorophosphoryloxy-4-nitro-benzene; With triethylamine; phenol; In dichloromethane; at -78 ℃; for 0.5h;

alanine isopropyl ester hydrochloride; With triethylamine; In dichloromethane; at 0 ℃; for 1h;

upstream raw materials:

1-dichlorophosphoryloxy-4-nitro-benzene

alanine isopropyl ester hydrochloride

(S)-2-[(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester

p-nitrophenyl phenyl phosphorochloridate

Downstream raw materials:

sofosbuvir

(S)-2-{(R)-[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy](phenoxy)phosphorylamino}propionic acid isopropyl ester

(S)-isopropyl 2-(((S)-(((3aR,4R,6R,6aR)-6-(6-amino-0H-purin-9-yl)-2,2-dimethyltetrahydrofuro-[3,4-d]dioxol-4-yl)methoxy)(phenoxy)phosphoryl)amino)propionoate

(Sp)-isopropyl 2-((S)-(((2R,3R,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate

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