Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-

Base Information

• Chemical Name: Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-
• CAS No.: 100609-71-0
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.283
• DSSTox Substance ID: DTXSID80466564
• Nikkaji Number: J60.288D
• Wikidata: Q82293155
• Mol file: 100609-71-0.mol

Synonyms:100609-71-0;benzaldehyde,4-[[2-(acetyloxy)ethyl]ethylamino]-;benzaldehyde,4-((2-(acetyloxy)ethyl)ethylamino)-;Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-;SCHEMBL5689109;DTXSID80466564;VDFFGPXYYUJXAF-UHFFFAOYSA-N;2-(ethyl(4-formylphenyl)amino)ethyl acetate;4-(N-2-acetoxyethyl-N-ethylamino)benzaldehyde;2-[N-ethyl-N-(4-formylphenyl)amino]ethylethanoate;acetic acid 2-[ethyl-(4-formyl-phenyl)-amino]-ethyl ester

Chemical Property of Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-

There total 4 articles about Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]- 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: 92.0%

N-ethyl-N-[2-(methoxycarbonyl)ethyl]aniline (38954-40-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-[N-ethyl-N-(2'-acetoxyethyl)amino]benzaldehyde (100609-71-0)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; Reflux;

DOI:10.1039/b921520d

Reference yield:

N-ethyl-N-[2-(methoxycarbonyl)ethyl]aniline (38954-40-4) → 4-[N-ethyl-N-(2'-acetoxyethyl)amino]benzaldehyde (100609-71-0)

Guidance literature:

With sodium acetate; trichlorophosphate; In N-methyl-acetamide;

Reference yield:

2-( N-ethylanilino)ethanol (92-50-2) → 4-[N-ethyl-N-(2'-acetoxyethyl)amino]benzaldehyde (100609-71-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / 75 - 130 °C

2: POCl₃ / 1,2-dichloro-ethane / 6 h / 82 °C

With trichlorophosphate; In 1,2-dichloro-ethane; 2: Vilsmeier-Haack reaction;

DOI:10.1080/00397910600943444

upstream raw materials:

N-ethyl-N-[2-(methoxycarbonyl)ethyl]aniline

N,N-dimethyl-formamide

2-( N-ethylanilino)ethanol

Downstream raw materials:

2-(ethyl(4-(2-(4-nitrophenyl)ethenyl)phenyl)amino)ethanol

4-[N-ethyl-N-(2-(p-benzoylphenylmethoxy)ethyl)amino]-4'-nitrostilbene

2-[ethyl-(trans-stilbenyl-⁽⁴⁾)-amino]-ethanol-⁽¹⁾

3-[4-[N-ethyl-N-(2-tert-butyldimethylsiloxyethyl)amino]styryl]-5,5-dimethylcyclohex-2-enone