2-[(E)-3,4,5-Trimethoxybenzylidene]-3-[(E)-benzylidene]-4-oxo-4-aminobutanoic acid methyl ester

Base Information

Chemical Name:2-[(E)-3,4,5-Trimethoxybenzylidene]-3-[(E)-benzylidene]-4-oxo-4-aminobutanoic acid methyl ester
CAS No.:152815-41-3
Molecular Formula:C22H23NO6
Molecular Weight:397.428
Hs Code.:
DSSTox Substance ID:DTXSID901120543
Nikkaji Number:J2.395.980A
ChEMBL ID:CHEMBL471172
Mol file:152815-41-3.mol

Synonyms:CHEMBL471172;SCHEMBL7432749;DTXSID901120543;152815-41-3;2-[(E)-3,4,5-Trimethoxybenzylidene]-3-[(E)-benzylidene]-4-oxo-4-aminobutanoic acid methyl ester;Methyl (2E,3E)-3-(aminocarbonyl)-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methylene]-3-butenoate

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Supply Marketing:

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

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Chemical Property of 2-[(E)-3,4,5-Trimethoxybenzylidene]-3-[(E)-benzylidene]-4-oxo-4-aminobutanoic acid methyl ester

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:397.15253745
Heavy Atom Count:29
Complexity:609

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C=C(C(=CC2=CC=CC=C2)C(=O)N)C(=O)OC
Isomeric SMILES:COC1=CC(=CC(=C1OC)OC)/C=C(\C(=C/C2=CC=CC=C2)\C(=O)N)/C(=O)OC

Technology Process of 2-[(E)-3,4,5-Trimethoxybenzylidene]-3-[(E)-benzylidene]-4-oxo-4-aminobutanoic acid methyl ester

There total 6 articles about 2-[(E)-3,4,5-Trimethoxybenzylidene]-3-[(E)-benzylidene]-4-oxo-4-aminobutanoic acid methyl 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:

: 152815-94-6
methyl hydrogen (2E,3E)-2-benzylidene-3-(3,4,5-trimethoxybenzylidene)-succinate

: 152815-41-3
methyl (2E,3E)-3-carbamoyl-4-phenyl-2-(3,4,5-trimethoxybenzylidene)-but-3-enoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / DMF / CHCl₃ / Heating

2: aq. NH₃ / CHCl₃ / cooling

With ammonium hydroxide; thionyl chloride; N,N-dimethyl-formamide; In chloroform;
DOI:10.1248/cpb.54.1686

Reference yield:

: 65859-90-7
dimethyl (E)-benzylidenesuccinate

: 152815-41-3
methyl (2E,3E)-3-carbamoyl-4-phenyl-2-(3,4,5-trimethoxybenzylidene)-but-3-enoate

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / t-BuOK / 2-methyl-propan-2-ol; tetrahydrofuran / 25 °C

2: SOCl₂ / DMF / CHCl₃ / Heating

3: aq. NH₃ / CHCl₃ / cooling

With ammonium hydroxide; thionyl chloride; potassium tert-butylate; N,N-dimethyl-formamide; In tetrahydrofuran; chloroform; tert-butyl alcohol; 1: Stobbe condensation;
DOI:10.1248/cpb.54.1686

Reference yield:

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 152815-41-3
methyl (2E,3E)-3-carbamoyl-4-phenyl-2-(3,4,5-trimethoxybenzylidene)-but-3-enoate

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / t-BuOK / 2-methyl-propan-2-ol; tetrahydrofuran / 25 °C

2: SOCl₂ / DMF / CHCl₃ / Heating

3: aq. NH₃ / CHCl₃ / cooling

With ammonium hydroxide; thionyl chloride; potassium tert-butylate; N,N-dimethyl-formamide; In tetrahydrofuran; chloroform; tert-butyl alcohol; 1: Stobbe condensation;
DOI:10.1248/cpb.54.1686