Butanoic acid, 2-nitro-3-oxo-, ethyl ester

Base Information

• Chemical Name: Butanoic acid, 2-nitro-3-oxo-, ethyl ester
• CAS No.: 51026-98-3
• Molecular Formula: C6H9NO5
• Molecular Weight: 175.141
• DSSTox Substance ID: DTXSID30402593
• Nikkaji Number: J462.341J
• Mol file: 51026-98-3.mol

Synonyms:ethyl 2-nitro-3-oxobutanoate;51026-98-3;Butanoic acid, 2-nitro-3-oxo-, ethyl ester;ethyl 2-nitroacetoacetate;SCHEMBL6701923;DTXSID30402593;MFCD02257637;AKOS006228316;2-Nitro-3-oxobutanoic acid ethyl ester

Chemical Property of Butanoic acid, 2-nitro-3-oxo-, ethyl ester

Chemical Property:

• PSA: 89.19000
• LogP: 0.30700
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 175.04807239
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

EthylNitroacetoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C)[N+](=O)[O-]
• Uses: Ethyl Nitroacetoacetate is an intermediate used in the synthesis of N-Hydroxy Eltrombopag (H825795), which is a derivative compound of Eltrombopag (508000), an agonist of the Thrombopoietin (Tpo) receptor, used as treatment for thrombocytopenia.

Technology Process of Butanoic acid, 2-nitro-3-oxo-, ethyl ester

There total 2 articles about Butanoic acid, 2-nitro-3-oxo-, 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: 97.0%

ethyl acetoacetate (141-97-9) → ethyl 2-nitro-3-oxobutyrate (51026-98-3)

Guidance literature:

With sulfuric acid; nitric acid; In chloroform; at 0 ℃; for 1h;

DOI:10.1007/BF00699138

Reference yield:

→ ethyl 2-nitro-3-oxobutyrate (51026-98-3)

Guidance literature:

Ethylacetoacetat, HNO3/H2SO4;

Reference yield: 97.0%

ethyl 2-nitro-3-oxobutyrate (51026-98-3) → nitroacetic acid ethyl ester (626-35-7)

Guidance literature:

With sulfuric acid; In methanol; for 1h;

DOI:10.1007/BF00699138

upstream raw materials:

ethyl acetoacetate

Downstream raw materials:

ethyl 2-amino-3-oxobutanoate hydrochloride

nitroacetic acid ethyl ester

diethyl 4,5-dihydroisoxazole-3,5-dicarboxylate

ethyl isoxazole-3-carboxylate