ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate

Base Information

• Chemical Name: ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate
• CAS No.: 57834-50-1
• Molecular Formula: C19H20N2O4
• Molecular Weight: 340.379
• European Community (EC) Number: 260-977-6
• NSC Number: 12031
• UNII: ARI7WG17HR
• DSSTox Substance ID: DTXSID0069208
• Nikkaji Number: J296.806A
• Mol file: 57834-50-1.mol

Synonyms:57834-50-1;ethyl 4-{[(e)-{[4-(ethoxycarbonyl)phenyl]amino}methylidene]amino}benzoate;ARI7WG17HR;N,N'-bis(4-ethoxycarbonylphenyl)formamidine;EINECS 260-977-6;NSC-12031;Ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate;Benzoic acid, 4-((((4-(ethoxycarbonyl)phenyl)amino)methylene)amino)-, ethyl ester;Benzoic acid, 4-[[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]-, ethyl ester;NSC12031;UNII-ARI7WG17HR;SCHEMBL8088636;DTXSID0069208;NSC 12031;STK518663;AKOS002280449;AKOS033169254;N,N'-BIS(P-ETHOXYCARBONYLPHENYL)FORMAMIDINE;Ethyl 4-((((4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate;4-[[[[4-(Ethoxycarbonyl)phenyl]amino]methylene]amino]benzoic acid ethyl ester

Chemical Property of ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate

Chemical Property:

• Vapor Pressure: 9.6E-10mmHg at 25°C
• Boiling Point: 489.9°C at 760 mmHg
• Flash Point: 250.1°C
• Density: 1.14g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 340.14230712
• Heavy Atom Count: 25
• Complexity: 450

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC=NC2=CC=C(C=C2)C(=O)OCC

Technology Process of ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate

There total 5 articles about ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate 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: 91.4%

orthoformic acid triethyl ester (122-51-0) + p-aminoethylbenzoate (94-09-7) → N,N’-bis(4-ethoxycarbonylphenyl)formamidine (57834-50-1)

Guidance literature:

In ethanol; for 9h; Reflux;

Reference yield:

orthoformic acid triethyl ester (122-51-0) + p-aminoethylbenzoate (94-09-7) → ethyl N-(4-ethoxycarbonylphenyl)formimidate (57834-49-8) + N,N’-bis(4-ethoxycarbonylphenyl)formamidine (57834-50-1)

Guidance literature:

at 90 - 140 ℃; for 1h; Large scale;

Reference yield:

orthoformic acid triethyl ester (122-51-0) + p-aminoethylbenzoate (94-09-7) + N'-(tosyloxy)-acetimidamide → ethyl N-(4-ethoxycarbonylphenyl)formimidate (57834-49-8) + C12H13N3O2 (1445975-54-1) + N,N’-bis(4-ethoxycarbonylphenyl)formamidine (57834-50-1)

Guidance literature:

orthoformic acid triethyl ester; p-aminoethylbenzoate; N'-(tosyloxy)-acetimidamide; With ethanesulfonic acid; In tetrahydrofuran; at 60 ℃; for 6h; Inert atmosphere;

With potassium carbonate; In dichloromethane; Inert atmosphere;

DOI:10.1021/ol401428x

upstream raw materials:

orthoformic acid triethyl ester

p-aminoethylbenzoate

N-(4-ethoxycarbonylphenyl)formamide

Downstream raw materials:

2-[2-(4-ethoxycarbonyl-anilino)-vinyl]-4-isobutyl-3,5-dimethyl-thiazolium; iodide

2-[2-(4-ethoxycarbonyl-anilino)-vinyl]-3,4,5-trimethyl-oxazolium; iodide

2-[2-(4-ethoxycarbonyl-anilino)-vinyl]-4-isobutyl-3,5-dimethyl-oxazolium; iodide