N,N'-Bis-(2-methoxy-phenyl)-malonamide

Base Information

• Chemical Name: N,N'-Bis-(2-methoxy-phenyl)-malonamide
• CAS No.: 7056-72-6
• Molecular Formula: C17H18N2O4
• Molecular Weight: 314.341
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90350667
• Nikkaji Number: J1.812.970A
• Wikidata: Q82126729
• ChEMBL ID: CHEMBL1814542
• Mol file: 7056-72-6.mol

Synonyms:7056-72-6;N,N'-Bis-(2-methoxy-phenyl)-malonamide;N,N'-bis(2-methoxyphenyl)propanediamide;N1,N3-Bis(2-methoxyphenyl)malonamide;N,N'-bis(2-methoxyphenyl)malonamide;Enamine_005074;Oprea1_637519;Oprea1_644341;MLS001198280;SCHEMBL2007035;CHEMBL1814542;DTXSID90350667;HMS1408G14;HMS2855A10;MFCD00400047;STK723421;AKOS000115214;IDI1_007661;BS-29397;SMR000559150;CS-0210223;EN300-01428;N,N-BIS-(2-METHOXY-PHENYL)-MALONAMIDE;N~1~,N~3~-Bis(2-methoxyphenyl)propanediamide;Z56887712;F1682-0030

Chemical Property of N,N'-Bis-(2-methoxy-phenyl)-malonamide

Chemical Property:

• Boiling Point: 544.7oC at 760 mmHg
• Flash Point: 283.2oC
• PSA: 83.64000
• Density: 1.267g/cm3
• LogP: 3.97010
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 314.12665706
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

N,N''-Bis-(2-methoxy-phenyl)-malonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2OC

Technology Process of N,N'-Bis-(2-methoxy-phenyl)-malonamide

There total 8 articles about N,N'-Bis-(2-methoxy-phenyl)-malonamide 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: 96.0%

2-methoxymalonanilic acid ethyl ester (90475-72-2) → N1,N3-bis(2-methoxyphenyl)malonamide (7056-72-6) + diethyl malonate (105-53-3)

Guidance literature:

In N,N-dimethyl-formamide; for 5h; Heating;

DOI:10.1016/S0040-4020(01)81765-8

Reference yield: 95.5%

2-methoxy-phenylamine (90-04-0) + diethyl malonate (105-53-3) → N1,N3-bis(2-methoxyphenyl)malonamide (7056-72-6)

Guidance literature:

DOI:10.1016/0040-4020(89)80106-1

Reference yield: 80.0%

2-methoxy-phenylamine (90-04-0) + diethyl malonate (105-53-3) → 2-methoxymalonanilic acid ethyl ester (90475-72-2) + N1,N3-bis(2-methoxyphenyl)malonamide (7056-72-6)

Guidance literature:

at 180 - 185 ℃; for 15h;

upstream raw materials:

2-methoxy-phenylamine

diethyl malonate

2-methoxymalonanilic acid ethyl ester

malonic acid dimethyl ester

Downstream raw materials:

3,3-dibenzyl-4-hydroxy-8-methoxy-3,4-dihydro-1H-quinolin-2-one

3,3-dibenzyl-8-methoxy-1H-quinoline-2,4-dione

3,3-Dichloro-8-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline

Refernces

• 1、 Dyablo, Olga V.,Pozharskii, Alexander F.,Shmoilova, Elena A.,Savchenko, Aleksey O.. "Synthesis of 6-methoxy-N 2,N 2,N 4,N 4,N 5,N 5-hexamethylquinoline-2,4,5-triamine - A new representative of quinoline proton sponges". . p. 250 - 258. Retrieved 2016/01/12.
• 2、 Habash, Maha,Taha, Mutasem O.. "Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads". experimental part. p. 4746 - 4771. Retrieved 2011/09/20.