Ethyl 2-nitrobutanoate

Base Information

• Chemical Name: Ethyl 2-nitrobutanoate
• CAS No.: 2531-81-9
• Molecular Formula: C6H11 N O4
• Molecular Weight: 161.158
• Hs Code.: 2915900090
• European Community (EC) Number: 621-904-7
• DSSTox Substance ID: DTXSID80395345
• Nikkaji Number: J1.353.887E
• Mol file: 2531-81-9.mol

Synonyms:ethyl 2-nitrobutanoate;2531-81-9;Ethyl 2-nitrobutyrate;Ethyl 2-nitrobuytrate;2-nitrobutanoic acid ethyl ester;ethyl a-nitrobutyrate;Ethyl 2-nitrobutyrate, 96%;SCHEMBL1483917;2-nitro-butyric acid ethyl ester;DTXSID80395345;MFCD00075585;AKOS024386574;FT-0656313;A817783;J-015933

Chemical Property of Ethyl 2-nitrobutanoate

Chemical Property:

• Vapor Pressure: 0.185mmHg at 25°C
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 82-83 °C8 mm Hg(lit.)
• PKA: 5.98±0.36(Predicted)
• Flash Point: 186 °F
• PSA: 72.12000
• Density: 1.096 g/mL at 25 °C(lit.)
• LogP: 1.12800
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl2-nitrobuytrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OCC)[N+](=O)[O-]

Technology Process of Ethyl 2-nitrobutanoate

There total 18 articles about Ethyl 2-nitrobutanoate 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:

2-bromobutyric acid ethyl ester (533-68-6) → ethyl 2-nitrobutanoate (2531-81-9)

Guidance literature:

With 3,5-dihydroxyphenol; dimethyl sulfoxide; sodium nitrite;

DOI:10.1021/ja01567a041

Reference yield:

2-iodo-butyric acid ethyl ester (7425-47-0) → ethyl 2-nitrobutanoate (2531-81-9)

Guidance literature:

With silver(I) nitrite; diethyl ether;

DOI:10.1021/ja01629a084

Reference yield:

ethyl diethyl malonate (133-13-1) → ethyl 2-nitrobutanoate (2531-81-9)

Guidance literature:

With nitric acid; sodium nitrite; Behandeln des Reaktionsprodukts mit Natriumaethylat in Aethanol;

DOI:10.1021/ja01588a059

upstream raw materials:

2-iodo-butyric acid ethyl ester

2-nitroso-butyric acid ethyl ester

1-cyano-1-methylethylnitrate

Diethyl ethylsodiomalonate

Downstream raw materials:

ethyl (2E)-2-(hydroxyimino)butanoate

ethyl 2-ethyl-2-nitro-5-phenyl-4-pentenoate

ethyl α-(phenylthio)butyrate

C₁₈H₂₆N₂O₆

Refernces

• 1、 Stolze, Klaus,Rohr-Udilova, Natascha,Rosenau, Thomas,Hofinger, Andreas,Nohl, Hans. "Free radical trapping properties of several ethyl-substituted derivatives of 5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide (EMPO)". . p. 2827 - 2836. Retrieved 2007.