Diethyl [(4-aminophenyl)methyl]propanedioate

Base Information

Chemical Name:Diethyl [(4-aminophenyl)methyl]propanedioate
CAS No.:61881-50-3
Molecular Formula:C14H19NO4
Molecular Weight:265.309
Hs Code.:
DSSTox Substance ID:DTXSID60595200
Wikidata:Q82490160

Synonyms:Diethyl [(4-aminophenyl)methyl]propanedioate;diethyl(4-aminobenzyl)malonate;SCHEMBL7260547;DTXSID60595200

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Diethyl [(4-aminophenyl)methyl]propanedioate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:265.13140809
Heavy Atom Count:19
Complexity:280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CC1=CC=C(C=C1)N)C(=O)OCC

Technology Process of Diethyl [(4-aminophenyl)methyl]propanedioate

There total 6 articles about Diethyl [(4-aminophenyl)methyl]propanedioate 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%

: 61881-49-0
Diethyl 2-methyl-2-(4-nitrophenyl)malonate

: 61881-50-3
amino-4-phenyl methyl malonate d'ethyle

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In methanol; for 3h; under 1500.15 Torr;

Reference yield:

: 100-00-5
4-chlorobenzonitrile

: 61881-50-3
amino-4-phenyl methyl malonate d'ethyle

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 30 min, room temperature, 2.a) DMF, 30 min, room temperature, b.) 2 h, 90 deg C

2: 9.2 g / H₂ / 10percent Pd-C / ethyl acetate / 4 h / Ambient temperature

With hydrogen; sodium hydride; palladium on activated charcoal; In ethyl acetate;
DOI:10.1248/cpb.39.2323

Reference yield:

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: 61881-50-3
amino-4-phenyl methyl malonate d'ethyle

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / dimethylsulfoxide / 15 °C

1.2: dimethylsulfoxide / 15 °C

2.1: H₂ / Pd/C / ethanol / atmospheric pressure

With hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; dimethyl sulfoxide;
DOI:10.1021/jm0502541