Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate

Base Information

• Chemical Name: Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
• CAS No.: 126989-14-8
• Molecular Formula: C23H32NO10
• Molecular Weight: 453.446
• DSSTox Substance ID: DTXSID10587771
• Nikkaji Number: J1.673.292C
• Wikidata: Q82480279
• Mol file: 126989-14-8.mol

Synonyms:Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate;126989-14-8;Tetraethyl2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate;2,2,4,4-Pentanetetracarboxylic acid, 3-(4-nitrophenyl)-, 1,2,4,4-tetraethyl ester;SGYUBTVCLVPOCT-UHFFFAOYSA-N;SCHEMBL1857441;DTXSID10587771;DB-344391;2,4-bis-ethoxycarbonyl-3-(4-nitro-phenyl)-pentanedioic acid diethyl ester

Chemical Property of Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate

Chemical Property:

• PSA: 151.02000
• LogP: 2.68640
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 453.16349606
• Heavy Atom Count: 32
• Complexity: 590

Purity/Quality:

≥99% ^*data from raw suppliers

TETRAETHYL-2-(4-NITROPHENYL)PROPANE-1,1,3,3-TETRACARBOXYLATE 95.00% ^*data from reagent 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(C(=O)OCC)C(=O)OCC)C(=O)OCC

Technology Process of Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate

There total 4 articles about Tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate 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: 93.0%

diethyl 4-nitrobenzylidene malonate (22399-00-4) → tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate (126989-14-8)

Guidance literature:

diethyl malonate; With sodium ethanolate; In ethanol; at 20 ℃; for 0.333333h;

diethyl 4-nitrobenzylidene malonate; In ethanol; at 20 ℃; for 6h;

With acetic acid; In ethanol; for 0.0833333h;

Reference yield: 92.0%

N-tosyl-4-nitrobenzaldimine (13707-46-5) + diethyl malonate (105-53-3) → tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate (126989-14-8)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 50 ℃; for 4h;

DOI:10.1021/jo070726e

Reference yield:

sodium diethylmalonate (996-82-7) → tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate (126989-14-8)

Guidance literature:

With diethyl ether;

upstream raw materials:

sodium diethylmalonate

4-nitrobenzaldehdye

diethyl malonate

diethyl 4-nitrobenzylidene malonate

Downstream raw materials:

3-(4-Nitro-phenyl)-pentanedioic acid

3-(4-amino-phenyl)-glutaric acid

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