Ethyl 3-methyl-2-nitrobut-2-enoate

Base Information

• Chemical Name: Ethyl 3-methyl-2-nitrobut-2-enoate
• CAS No.: 18289-63-9
• Molecular Formula: C7H11NO4
• Molecular Weight: 173.169
• NSC Number: 49282
• DSSTox Substance ID: DTXSID00287152

Synonyms:18289-63-9;ethyl 3-methyl-2-nitrobut-2-enoate;NSC49282;SCHEMBL14706092;DTXSID00287152;NSC-49282

Chemical Property of Ethyl 3-methyl-2-nitrobut-2-enoate

Chemical Property:

• Vapor Pressure: 0.0149mmHg at 25°C
• Boiling Point: 257°C at 760 mmHg
• Flash Point: 113.5°C
• Density: 1.127g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.06880783
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 3-methyl-2-nitrobut-2-enoate

There total 3 articles about Ethyl 3-methyl-2-nitrobut-2-enoate 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: 91.0%

ethyl 3-methylbut-2-enoate (638-10-8) → 3-methyl-2-nitro-2-butenoate (18289-63-9)

Guidance literature:

With nitric acid; In water; 1.) 0 deg C, 1.25 h; 2.) 0 deg C, 1.5 h; 3.) room temp., 1 h;

DOI:10.1246/bcsj.61.4029

Reference yield:

ethyl 3-methylbut-2-enoate (638-10-8) + nitric acid (7697-37-2,78989-43-2) → 3-methyl-2-nitro-2-butenoate (18289-63-9)

Guidance literature:

Reference yield:

→ 3-methyl-2-nitro-2-butenoate (18289-63-9)

Guidance literature:

β,β-Dimethyl-acrylsaeure-aethylester, HNO3 (80percent), 20grad; Ausb. 53.5percent;

upstream raw materials:

ethyl 3-methylbut-2-enoate

nitric acid

Downstream raw materials:

β-benzylsulfanyl-α-nitro-isovaleric acid ethyl ester

α,β-dehydrovaline ethylester

D,L-valine

2-benzoylamino-3-methyl-crotonic acid ethyl ester

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