(3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione

Base Information

Chemical Name:(3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione
CAS No.:714272-28-3
Molecular Formula:C₂₀H₂₂N₄O₃
Molecular Weight:366.42
Hs Code.:
ChEMBL ID:CHEMBL2024104
DSSTox Substance ID:DTXSID101107567

Synonyms:SCHEMBL79249;CHEMBL2024104;DTXSID101107567;(3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione;714272-28-3

Suppliers and Price of (3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione

Supply Marketing:

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

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Chemical Property of (3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:366.16919058
Heavy Atom Count:27
Complexity:642

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=C(N=CN1)C=C2C(=O)NC(=CC3=CC=C(C=C3)OC)C(=O)N2
Isomeric SMILES:CC(C)(C)C1=C(N=CN1)/C=C\2/C(=O)N/C(=C\C3=CC=C(C=C3)OC)/C(=O)N2

Technology Process of (3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione

There total 4 articles about (3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione 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:

: 714273-83-3
5-(tert-butyl)-1H-imidazole-4-carbaldehyde

: 714272-28-3
3-{(Z)-1-[5-(tert-butyl)-1H-4-imidazolyl]methylidene}-6-[(Z)-1-(4-methoxyphenyl)methylidene]-2,5-piperazinedione

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C / Inert atmosphere

2: caesium carbonate / N,N-dimethyl-formamide / 4 h / 80 °C / Inert atmosphere

With caesium carbonate; In N,N-dimethyl-formamide;
DOI:10.1021/jm2009088

Reference yield:

: 714273-89-9
5-(tert-butyl)oxazole-4-carboxylic acid ethyl ester

: 714272-28-3
3-{(Z)-1-[5-(tert-butyl)-1H-4-imidazolyl]methylidene}-6-[(Z)-1-(4-methoxyphenyl)methylidene]-2,5-piperazinedione

Guidance literature:: Multi-step reaction with 5 steps

1: 14 h / 165 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere

3: manganese(IV) oxide / acetone / 2 h / 20 °C

4: caesium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C / Inert atmosphere

5: caesium carbonate / N,N-dimethyl-formamide / 4 h / 80 °C / Inert atmosphere

With manganese(IV) oxide; lithium aluminium tetrahydride; caesium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm2009088

Reference yield:

: 51721-21-2
5-(tert-butyl)-1H-imidazole-4-carboxylic acid ethyl ester

: 714272-28-3
3-{(Z)-1-[5-(tert-butyl)-1H-4-imidazolyl]methylidene}-6-[(Z)-1-(4-methoxyphenyl)methylidene]-2,5-piperazinedione

Guidance literature:: Multi-step reaction with 4 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere

2: manganese(IV) oxide / acetone / 2 h / 20 °C

3: caesium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C / Inert atmosphere

4: caesium carbonate / N,N-dimethyl-formamide / 4 h / 80 °C / Inert atmosphere

With manganese(IV) oxide; lithium aluminium tetrahydride; caesium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm2009088