Ethyl 2,2-dinitroacetate

Base Information

• Chemical Name: Ethyl 2,2-dinitroacetate
• CAS No.: 87711-32-8
• Molecular Formula: C4H6N2O6
• Molecular Weight: 178.101
• DSSTox Substance ID: DTXSID20366170
• Wikidata: Q82151287
• Mol file: 87711-32-8.mol

Synonyms:ethyl 2,2-dinitroacetate;87711-32-8;Ethyl dinitroacetate;Acetic acid, dinitro-, ethyl ester;DTXSID20366170;AKOS006343773

Chemical Property of Ethyl 2,2-dinitroacetate

Chemical Property:

• PSA: 117.94000
• LogP: 0.47540
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 178.02258592
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

ETHYL DINITROACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2,2-dinitroacetate

There total 1 articles about Ethyl 2,2-dinitroacetate 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:

diethyl malonate (105-53-3) → dihydroxymalonic acid diethyl ester (631-23-2) + ethyl 2,2-dinitroacetate (87711-32-8) + diethyl nitromalonate (603-67-8)

Guidance literature:

DOI:10.1021/ja02219a017

upstream raw materials:

diethyl malonate