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

Base Information

• Chemical Name: Ethyl 4-[(3,3-diethoxypropyl)(formyl)amino]benzoate
• CAS No.: 6416-88-2
• Molecular Formula: C17H25 N O5
• Molecular Weight: 323.3841
• NSC Number: 92716
• DSSTox Substance ID: DTXSID70293866
• Wikidata: Q82032855

Synonyms:6416-88-2;ethyl 4-[(3,3-diethoxypropyl)(formyl)amino]benzoate;NSC92716;DTXSID70293866;NSC-92716

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

Chemical Property:

• Vapor Pressure: 1.83E-08mmHg at 25°C
• Boiling Point: 454.9°C at 760 mmHg
• Flash Point: 228.9°C
• Density: 1.11g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 323.17327290
• Heavy Atom Count: 23
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about Ethyl 4-[(3,3-diethoxypropyl)(formyl)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) → Ethyl p-benzoate (6416-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / dimethylformamide / Ambient temperature

2: Py

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

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

Reference yield:

Ethyl p-benzoate (6416-88-2) → Ethyl p-benzoate (6416-89-3)

Guidance literature:

With formic acid;

DOI:10.1021/jm00322a033

upstream raw materials:

formic anhydride

Ethyl p-(3,3-Diethoxypropylamino)benzoate

3,3-diethoxypropanal

Downstream raw materials:

Ethyl p-benzoate

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