(S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester

Base Information

• Chemical Name: (S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester
• CAS No.: 1392229-24-1
• Molecular Formula: C₁₈H₂₂N₂O₆
• Molecular Weight: 362.382
• Mol file: 1392229-24-1.mol

Synonyms:(S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester

Chemical Property of (S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester

There total 2 articles about (S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl 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: 94.0%

C7H14N2O4*ClH (1403462-68-9) → (S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester (1392229-24-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In acetonitrile; at 22 ℃; for 19h;

DOI:10.1021/op300163n

Reference yield:

(S)-3-methyl-2-((S)-2-methylpropane-2-sulfinylamino)-3-nitrobutyric acid ethyl ester (1392229-22-9) → (S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester (1392229-24-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetyl chloride / ethanol; ethyl acetate / 0.5 h / 0 - 25 °C

1.2: 25 °C

2.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / acetonitrile / 19 h / 22 °C

With N-ethyl-N,N-diisopropylamine; acetyl chloride; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethanol; ethyl acetate; acetonitrile;

DOI:10.1021/op300163n

Reference yield:

(S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-nitrobutyric acid ethyl ester (1392229-24-1) → C18H24N2O5

Guidance literature:

With acetic acid; zinc; In ethanol; water; at -10 - -5 ℃; for 10h; Inert atmosphere;

DOI:10.1021/op300163n

upstream raw materials:

(S)-3-methyl-2-((S)-2-methylpropane-2-sulfinylamino)-3-nitrobutyric acid ethyl ester

C₇H₁₄N₂O₄*ClH

Downstream raw materials:

C₁₆H₂₀N₂O₄

(S)-2-(4-but-2-ynyloxybenzoylamino)-3-methyl-3-aminobutyric acid ethyl ester

(S)-N-(3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-4-(but-2-yn-1-yloxy)benzamide