Benzoic acid, 4-[[(4-methoxyphenyl)methyl]amino]-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-[[(4-methoxyphenyl)methyl]amino]-, ethyl ester
• CAS No.: 61439-58-5
• Molecular Formula: C17H19NO3
• Molecular Weight: 285.343
• DSSTox Substance ID: DTXSID70403266
• Wikidata: Q82206889
• ChEMBL ID: CHEMBL32295

Synonyms:61439-58-5;Benzoic acid, 4-[[(4-methoxyphenyl)methyl]amino]-, ethyl ester;CHEMBL32295;ethyl N-anisyl-p-aminobenzoate;SCHEMBL11250399;DTXSID70403266;KWWQSZAAIIHKEA-UHFFFAOYSA-N;AKOS001654721;ethyl 4-[(4-methoxybenzyl)amino]benzoate;Ethyl p-[(p-Methoxybenzyl)amino]benzoate;EU-0080845;SR-01000084015;SR-01000084015-1

Chemical Property of Benzoic acid, 4-[[(4-methoxyphenyl)methyl]amino]-, ethyl ester

Chemical Property:

• PSA: 47.56000
• LogP: 3.55700
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 285.13649347
• Heavy Atom Count: 21
• Complexity: 305

Purity/Quality:

4-[[(4-METHOXYPHENYL)METHYL]AMINO]BENZOIC ACID ETHYL ESTER 95.00% ^*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)NCC2=CC=C(C=C2)OC

Technology Process of Benzoic acid, 4-[[(4-methoxyphenyl)methyl]amino]-, ethyl ester

There total 4 articles about Benzoic acid, 4-[[(4-methoxyphenyl)methyl]amino]-, ethyl ester 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: 97.0%

4-Methoxybenzyl alcohol (105-13-5) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(4-methoxybenzylamino)benzoate (61439-58-5)

Guidance literature:

With indium(III) triflate; In water; at 100 ℃; for 5h; chemoselective reaction;

DOI:10.1016/j.tet.2013.07.010

Reference yield: 68.0%

p-Methoxybenzyl bromide (2746-25-0) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(4-methoxybenzylamino)benzoate (61439-58-5)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 125 ℃; for 24h;

DOI:10.1021/jm00364a009

Reference yield:

p-methoxybenzyl chloride (824-94-2) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(4-methoxybenzylamino)benzoate (61439-58-5)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; In water;

upstream raw materials:

4-methoxy-benzaldehyde

p-aminoethylbenzoate

p-methoxybenzyl chloride

p-Methoxybenzyl bromide

Downstream raw materials:

N-(4-methoxybenzyl)-4-aminobenzoic acid

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