Ethyl 4-[(3,3-diethoxypropyl)amino]benzoate

Base Information

• Chemical Name: Ethyl 4-[(3,3-diethoxypropyl)amino]benzoate
• CAS No.: 6416-87-1
• Molecular Formula: C16H25NO4
• Molecular Weight: 295.374
• NSC Number: 86753
• DSSTox Substance ID: DTXSID30293009
• Wikidata: Q82031555
• Mol file: 6416-87-1.mol

Synonyms:6416-87-1;ethyl 4-[(3,3-diethoxypropyl)amino]benzoate;NSC86753;DTXSID30293009;NSC-86753

Chemical Property of Ethyl 4-[(3,3-diethoxypropyl)amino]benzoate

Chemical Property:

• Vapor Pressure: 4.11E-07mmHg at 25°C
• Boiling Point: 415.5°Cat760mmHg
• Flash Point: 205.1°C
• Density: 1.072g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 295.17835828
• Heavy Atom Count: 21
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CCNC1=CC=C(C=C1)C(=O)OCC)OCC

Technology Process of Ethyl 4-[(3,3-diethoxypropyl)amino]benzoate

There total 1 articles about Ethyl 4-[(3,3-diethoxypropyl)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:

3,3-diethoxypropanal (6367-37-9) + p-aminoethylbenzoate (94-09-7) → Ethyl p-(3,3-Diethoxypropylamino)benzoate (6416-87-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1021/jm00322a033

Reference yield:

Ethyl p-(3,3-Diethoxypropylamino)benzoate (6416-87-1) → Ethyl p-benzoate (6416-89-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: HCO₂H

With pyridine; formic acid;

DOI:10.1021/jm00322a033

Reference yield:

formic anhydride (1558-67-4) + Ethyl p-(3,3-Diethoxypropylamino)benzoate (6416-87-1) → Ethyl p-benzoate (6416-88-2)

Guidance literature:

With pyridine;

DOI:10.1021/jm00322a033

upstream raw materials:

3,3-diethoxypropanal

p-aminoethylbenzoate

Downstream raw materials:

Ethyl p-benzoate

Ethyl p-benzoate