1-Methyl-4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine

Base Information

• Chemical Name: 1-Methyl-4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine
• CAS No.: 910462-34-9
• Molecular Formula: C19H31BN2O3
• Molecular Weight: 346.278
• DSSTox Substance ID: DTXSID80702454
• Wikidata: Q82634369
• Mol file: 910462-34-9.mol

Synonyms:910462-34-9;1-methyl-4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine;1-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)piperazine;1-Methyl-4-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-ethyl}-piperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;1-Methyl-4-(2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-ethyl)-piperazine;1-methyl-4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine;SCHEMBL1367081;C19H31BN2O3;DTXSID80702454;WSCWCKAPDGWCOS-UHFFFAOYSA-N;AMY27235;AT32871;EN300-103822;Z1336747881;1-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)piperazine;1-methyl-4-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-phenoxy]-ethyl}-piperazine

Chemical Property of 1-Methyl-4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine

Chemical Property:

• Boiling Point: 461.3±40.0 °C(Predicted)
• PKA: 7.58±0.10(Predicted)
• PSA: 34.17000
• Density: 1.08±0.1 g/cm3(Predicted)
• LogP: 1.48780
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 346.2427730
• Heavy Atom Count: 25
• Complexity: 414

Purity/Quality:

97% ^*data from raw suppliers

1-METHYL-4-(2-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY]ETHYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCN3CCN(CC3)C

Technology Process of 1-Methyl-4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine

There total 3 articles about 1-Methyl-4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine 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: 46.0%

2-(4-methylpiperazinyl)ethanol (5464-12-0) + p-bromophenylboronic acid pinacol ester (68716-49-4) → 1-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)piperazine (910462-34-9)

Guidance literature:

With tetrabutylammomium bromide; Ni(dtbbpy)₃Cl₂; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl acetamide; at 20 ℃; for 8h; chemoselective reaction; Inert atmosphere; Electrochemical reaction; Molecular sieve; Sealed tube;

DOI:10.1002/anie.202107820

Reference yield: 44.0%

N-<2-(4-bromophenoxy)ethyl>-N'-methylpiperazine (401502-08-7) + bis(pinacol)diborane (73183-34-3) → 1-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)piperazine (910462-34-9)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 90 ℃; for 16h; Inert atmosphere;

Reference yield:

1-bromo-4-(2-chloroethoxy)benzene (55162-34-0) → 1-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)piperazine (910462-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one / 4 h / 160 °C / Sealed tube

2: potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / 16 h / 90 °C / Inert atmosphere

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one;

upstream raw materials:

N-<2-(4-bromophenoxy)ethyl>-N'-methylpiperazine

bis(pinacol)diborane

1-bromo-4-(2-chloroethoxy)benzene

2-(4-methylpiperazinyl)ethanol

Downstream raw materials:

(E)-3-(1-{4'-[2-(4-methyl-piperazin-1-yl)-ethoxy]-biphenyl-3-sulfonyl}-1H-pyrrol-3-yl)-N-(tetrahydro-pyran-2-yloxy)-acrylamide

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