2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde

Base Information

Chemical Name:2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde
CAS No.:1321963-19-2
Molecular Formula:C₁₃H₁₅F₃N₂O₂
Molecular Weight:288.27
Hs Code.:
DSSTox Substance ID:DTXSID801189748

Synonyms:DTXSID801189748;1321963-19-2;2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde

Suppliers and Price of 2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde

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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 2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:288.10856221
Heavy Atom Count:20
Complexity:330

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CCN(CC1)C2=C(C=CC(=C2)OC(F)(F)F)C=O

Technology Process of 2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde

There total 5 articles about 2-(4-Methyl-1-piperazinyl)-4-(trifluoromethoxy)benzaldehyde 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: 55.0%

: 1321964-42-4
1-(2-(1,3-dioxolan-2-yl)-5-(trifluoromethoxyphenyl)-4-methylpiperazine)

: 1321963-19-2
2-(4-methylpiperazin-1-yl)-4-(trifluoromethoxy)benzaldehyde

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 0.5h;
DOI:10.1021/jm1010644

Reference yield:

: 883546-30-3
2-bromo-1-iodo-4-(trifluoromethoxy)benzene

: 1321963-19-2
2-(4-methylpiperazin-1-yl)-4-(trifluoromethoxy)benzaldehyde

Guidance literature:: Multi-step reaction with 5 steps

1.1: triethylamine / acetonitrile / 0.5 h / Inert atmosphere

1.2: 16 h / 95 °C / Inert atmosphere

1.3: Inert atmosphere

2.1: sodium periodate; osmium(VIII) oxide / water; acetone; tert-butyl alcohol / 16 h / 0 - 20 °C

3.1: toluene-4-sulfonic acid / benzene / 8 h / 20 °C / Reflux

4.1: caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 0.33 h / Inert atmosphere

4.2: 8 h / 90 °C / Inert atmosphere

5.1: hydrogenchloride / tetrahydrofuran; water / 0.5 h / 20 °C

With hydrogenchloride; sodium periodate; osmium(VIII) oxide; caesium carbonate; toluene-4-sulfonic acid; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; 1,4-dioxane; water; acetone; acetonitrile; tert-butyl alcohol; benzene;
DOI:10.1021/jm1010644

Reference yield:

: 1321963-17-0
(E)-2-bromo-1-styryl-4-(trifluoromethoxy)benzene

: 1321963-19-2
2-(4-methylpiperazin-1-yl)-4-(trifluoromethoxy)benzaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium periodate; osmium(VIII) oxide / water; acetone; tert-butyl alcohol / 16 h / 0 - 20 °C

2.1: toluene-4-sulfonic acid / benzene / 8 h / 20 °C / Reflux

3.1: caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 0.33 h / Inert atmosphere

3.2: 8 h / 90 °C / Inert atmosphere

4.1: hydrogenchloride / tetrahydrofuran; water / 0.5 h / 20 °C

With hydrogenchloride; sodium periodate; osmium(VIII) oxide; caesium carbonate; toluene-4-sulfonic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; 1,4-dioxane; water; acetone; tert-butyl alcohol; benzene;
DOI:10.1021/jm1010644