Diethyl (3-nitrobenzylidene)malonate

Base Information

• Chemical Name: Diethyl (3-nitrobenzylidene)malonate
• CAS No.: 6331-45-9
• Molecular Formula: C14H15NO6
• Molecular Weight: 293.276
• NSC Number: 637163,47084
• DSSTox Substance ID: DTXSID00877532
• Nikkaji Number: J324.994H
• Mol file: 6331-45-9.mol

Synonyms:6331-45-9;NSC 47084;NSC637163;NSC47084;diethyl (3-nitrobenzylidene)malonate;diethyl 2-(3-nitrobenzylidene)malonate;SCHEMBL8018753;DTXSID00877532;DIETHYLMALONATE,3-NO2 BENZAL;NSC-47084;AKOS002134188;NSC-637163;(3-Nitrobenzylidene)malonic acid diethyl ester;diethyl 2-[(3-nitrophenyl)methylene]propanedioate;SR-01000077735;SR-01000077735-1;Z56771060;Diethyl 2-(3-(hydroxy(oxido)amino)benzylidene)malonate

Chemical Property of Diethyl (3-nitrobenzylidene)malonate

Chemical Property:

• Vapor Pressure: 2.11E-10mmHg at 25°C
• Boiling Point: 381.9°Cat760mmHg
• Flash Point: 149.4°C
• PSA: 98.42000
• Density: 1.266g/cm³
• LogP: 2.62760
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 293.08993720
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC

Technology Process of Diethyl (3-nitrobenzylidene)malonate

There total 6 articles about Diethyl (3-nitrobenzylidene)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: 91.0%

3-nitro-benzaldehyde (99-61-6) + diethyl malonate (105-53-3) → diethyl 2-(3-nitrobenzylidene)propanedioate (6331-45-9)

Guidance literature:

With aluminum oxide; at 120 ℃; microwave irradiation;

Reference yield: 3.0%

3-nitro-benzaldehyde (99-61-6) + diethyl malonate (105-53-3) → diethyl 2-(3-nitrobenzylidene)propanedioate (6331-45-9) + 3-nitrobenzoic acid (121-92-6)

Guidance literature:

With bentonite Actisil FF; for 0.25h; Irradiation;

DOI:10.1080/00397919508011413

Reference yield:

3-nitro-benzaldehyde (99-61-6) + 4-methoxy-aniline (104-94-9) + diethyl malonate (105-53-3) → C21H24N2O7 (1092938-02-7) + diethyl 2-(3-nitrobenzylidene)propanedioate (6331-45-9)

Guidance literature:

With lithium perchlorate; at 20 ℃; for 5h;

DOI:10.1080/00397910802271297

upstream raw materials:

3-nitro-benzaldehyde

diethyl malonate

4-nitrobenzaldehdye

4-methoxy-aniline

Downstream raw materials:

2-(3-Nitrobenzyl)malonic acid diethyl ester

4-ethyl 2,2-dimethyl 5-ethoxy-3-(3-nitrophenyl)furan-2,2,4(3H)-tricarboxylate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 6331-45-9 (m-Nitrobenzylidene)malonic acid diethyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send