Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate

Base Information

• Chemical Name: Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate
• CAS No.: 586400-06-8
• Molecular Formula: C₂₆H₂₆N₂O₄
• Molecular Weight: 430.503
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID30693000
• Mol file: 586400-06-8.mol

Synonyms:586400-06-8;Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate;ethyl 4-[(N-benzyl-4-ethoxycarbonylanilino)methylideneamino]benzoate;Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)-amino)methylene)amino)benzoate;N,N'-BIS(4-ETHOXYCARBONYLPHENYL)-N-BENZYLFORMAMIDINE;UV Absorber NP3;DTXSID30693000;AM62639;CS-0453994;A869391;Ethyl4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate;Ethyl 4-[(E)-({benzyl[4-(ethoxycarbonyl)phenyl]amino}methylidene)amino]benzoate;Benzoic acid, 4-[[[[4-(ethoxycarbonyl)phenyl]imino]methyl](phenylmethyl)amino]-, ethyl ester (9CI)

Chemical Property of Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate

Chemical Property:

• Boiling Point: 581.8 °C at 760 mmHg
• PKA: 5?+-.0.50(Predicted)
• Flash Point: 305.7 °C
• PSA: 68.20000
• Density: 1.11 g/cm³
• LogP: 5.40660
• Storage Temp.: 2-8°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 430.18925731
• Heavy Atom Count: 32
• Complexity: 601

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)-amino)methylene)amino)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)N=CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OCC
• Uses: N,N'-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine is mainly used as an ultraviolet absorber.

Technology Process of Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate

There total 3 articles about Ethyl 4-(((benzyl(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: 80.0%

N,N’-bis(4-ethoxycarbonylphenyl)formamidine (57834-50-1) + benzyl chloride (100-44-7) → N,N'-bis(4-ethoxycarbonylphenyl)-N-benzylformamidine (586400-06-8)

Guidance literature:

benzyl chloride; With potassium carbonate; In N,N-dimethyl acetamide; at 40 - 45 ℃; for 0.166667h;

N,N’-bis(4-ethoxycarbonylphenyl)formamidine; In N,N-dimethyl-formamide; at 43 - 48 ℃; for 24h;

Reference yield: 37.8%

C17H17NO3 (1175600-17-5) + p-aminoethylbenzoate (94-09-7) → N,N'-bis(4-ethoxycarbonylphenyl)-N'-benzylformamidine (586400-06-8)

Guidance literature:

C₁₇H₁₇NO₃; p-aminoethylbenzoate; With trichlorophosphate; In toluene; at 30 - 70 ℃; for 5h;

With sodium hydroxide; In water; toluene; at 20 ℃;

Reference yield:

p-aminoethylbenzoate (94-09-7) → N,N'-bis(4-ethoxycarbonylphenyl)-N-benzylformamidine (586400-06-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / 9 h / Reflux

2.1: potassium carbonate / N,N-dimethyl acetamide / 0.17 h / 40 - 45 °C

2.2: 24 h / 43 - 48 °C

With potassium carbonate; In ethanol; N,N-dimethyl acetamide;

upstream raw materials:

C₁₇H₁₇NO₃

p-aminoethylbenzoate

N,N’-bis(4-ethoxycarbonylphenyl)formamidine

benzyl chloride

Refernces

• 1、 -. "ULTRAVIOLET ABSORBER AND PLASTIC ARTICLE HAVING THE ULTRAVIOLET ABSORBER". . . Retrieved 2016/10/10.