4-(4-Methylpiperazin-1-YL)phenylboronic acid

Base Information

• Chemical Name: 4-(4-Methylpiperazin-1-YL)phenylboronic acid
• CAS No.: 229009-40-9
• Molecular Formula: C11H17BN2O2
• Molecular Weight: 220.079
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50693421
• Wikidata: Q82622464
• Mol file: 229009-40-9.mol

Synonyms:229009-40-9;4-(4-METHYLPIPERAZIN-1-YL)PHENYLBORONIC ACID;(4-(4-Methylpiperazin-1-yl)phenyl)boronic acid;4-(4-Methyl-1-piperazinyl)phenylboronic Acid;[4-(4-methylpiperazin-1-yl)phenyl]boronic acid;Boronic acid, [4-(4-methyl-1-piperazinyl)phenyl]-;MFCD11223486;4-(4-Methyl-1-piperazinyl)phenylboronicAcid;SCHEMBL1356805;DTXSID50693421;LSKYURVDOIDSCG-UHFFFAOYSA-N;AMY20307;AKOS015903879;AC-7063;CS-W003780;SB22972;NCGC00249534-01;4-(4-Methylpiperazino)benzeneboronic acid;DS-13818;SY003841;FT-0690042;A22894;EN300-7358940;J-513552;Boronic acid, B-[4-(4-methyl-1-piperazinyl)phenyl]-;4-(4-Methylpiperazin-1-yl)phenylboronic acid, AldrichCPR

Chemical Property of 4-(4-Methylpiperazin-1-YL)phenylboronic acid

Chemical Property:

• Vapor Pressure: 2.5E-07mmHg at 25°C
• Refractive Index: 1.593
• Boiling Point: 406.2 °C at 760 mmHg
• PKA: 9.08±0.17(Predicted)
• Flash Point: 199.5 °C
• PSA: 46.94000
• Density: 1.2 g/cm³
• LogP: -0.87890
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.1383080
• Heavy Atom Count: 16
• Complexity: 212

Purity/Quality:

97% ^*data from raw suppliers

[4-(4-Methylpiperazin-1-yl)phenyl]boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)N2CCN(CC2)C)(O)O
• Uses: [4-(4-Methylpiperazin-1-yl)phenyl]boronic Acid is a useful synthetic compound.

Technology Process of 4-(4-Methylpiperazin-1-YL)phenylboronic acid

There total 3 articles about 4-(4-Methylpiperazin-1-YL)phenylboronic acid 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: 58.0%

Triisopropyl borate (5419-55-6) + 1-bromo-4-(4-methyl-1-piperazinyl)benzene (130307-08-3) → (4-(4-methylpiperazin-1-yl)phenyl)boronic acid (229009-40-9)

Guidance literature:

1-bromo-4-(4-methyl-1-piperazinyl)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.166667h;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 ℃;

Reference yield:

1-(4-bromophenyl)piperazine hydrochloride → (4-(4-methylpiperazin-1-yl)phenyl)boronic acid (229009-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / water; methanol / 1.5 h / 80 °C / Inert atmosphere

1.2: 1 h / 0 °C / Inert atmosphere

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.17 h / -78 °C

2.2: -78 °C

With n-butyllithium; acetic acid; In tetrahydrofuran; methanol; hexane; water;

Reference yield:

1-(4-Bromophenyl)Piperazine Monohydrochloride → (4-(4-methylpiperazin-1-yl)phenyl)boronic acid (229009-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,6-anhydro-2,2',3,3',4',6'-hexa-O-acetyl-β-D-lactose / methanol; water / 1.5 h / 80 °C / Inert atmosphere

1.2: 1 h / Inert atmosphere

2.1: n-butyllithium / tetrahydrofuran; hexane / 0.17 h / -78 °C

2.2: -78 - 20 °C

With 1,6-anhydro-2,2',3,3',4',6'-hexa-O-acetyl-β-D-lactose; n-butyllithium; In tetrahydrofuran; methanol; hexane; water;

upstream raw materials:

Triisopropyl borate

1-bromo-4-(4-methyl-1-piperazinyl)benzene

Downstream raw materials:

3-(4-(4-methylpiperazin-1-yl)phenyl)-9H-pyrrolo[2,3-b:5,4-c′]-dipyridine-6-carbonitrile

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