Diethyl 2-methyl-2-(4-nitrophenyl)malonate

Base Information

• Chemical Name: Diethyl 2-methyl-2-(4-nitrophenyl)malonate
• CAS No.: 61881-49-0
• Molecular Formula: C14H17NO6
• Molecular Weight: 295.292
• DSSTox Substance ID: DTXSID50495427
• Nikkaji Number: J425.329I
• Wikidata: Q82343540
• Mol file: 61881-49-0.mol

Synonyms:diethyl 2-methyl-2-(4-nitrophenyl)malonate;61881-49-0;diethyl 2-methyl-2-(4-nitrophenyl)propanedioate;SCHEMBL664917;DTXSID50495427;MOUBYACUXWWHSC-UHFFFAOYSA-N;AC6479;MFCD31716124;Diethyl methyl(4-nitrophenyl)propanedioate;SY238224;diethyl2-methyl-2-(4-nitrophenyl)malonate;diethyl 2-methyl-2-(4-nitrophenyl)-malonate;A913532;1,3-DIETHYL 2-METHYL-2-(4-NITROPHENYL)PROPANEDIOATE

Chemical Property of Diethyl 2-methyl-2-(4-nitrophenyl)malonate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 295.10558726
• Heavy Atom Count: 21
• Complexity: 377

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Technology Process of Diethyl 2-methyl-2-(4-nitrophenyl)malonate

There total 3 articles about Diethyl 2-methyl-2-(4-nitrophenyl)malonate 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%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + Diethyl methylmalonate (609-08-5) → Diethyl 2-methyl-2-(4-nitrophenyl)malonate (61881-49-0)

Guidance literature:

With triethylsilane; t-Bu-P₄; In hexane; N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1039/b700140a

Reference yield:

4-chlorobenzonitrile (100-00-5) + Diethyl methylmalonate (609-08-5) → Diethyl 2-methyl-2-(4-nitrophenyl)malonate (61881-49-0)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) DMF, 50 deg C, 20 min, 2.) DMF, 100 deg C, 2 h;

DOI:10.1021/jm00356a019

Reference yield:

→ Diethyl 2-methyl-2-(4-nitrophenyl)malonate (61881-49-0)

Guidance literature:

Methylmalonsaeure-diethylester, NaH/4-Brom-nitrobenzol;

upstream raw materials:

4-chlorobenzonitrile

Diethyl methylmalonate

4-Fluoronitrobenzene

Downstream raw materials:

2-(4-nitrophenyl)propanoic acid

amino-4-phenyl methyl malonate d'ethyle

(RS)-2-(4'-iodophenyl)propanoic acid

methyl 2-(4-nitrobenzene)propionate