(4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

Base Information

• Chemical Name: (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
• CAS No.: 832114-06-4
• Molecular Formula: C₁₈H₂₇BN₂O₃
• Molecular Weight: 330.235
• Hs Code.: 2933998090
• European Community (EC) Number: 623-303-5
• DSSTox Substance ID: DTXSID60374996
• Wikidata: Q82163553
• Mol file: 832114-06-4.mol

Synonyms:832114-06-4;(4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone;4-(4-methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester;(4-methyl-piperazine-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-methanone;(4-METHYLPIPERAZINE-1-YL)[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHANONE;(4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;4-(4-methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester;4-(4-METHYL-1-PIPERAZINYLCARBONYL)BENZENEBORONIC ACID PINACOL ESTER;(4-Methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]methanone;1-METHYL-4-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOYL]PIPERAZINE;(4-Methylpiperazin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;[4-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid pinacol ester;SCHEMBL578389;DTXSID60374996;TXCDVBDHDQAWLR-UHFFFAOYSA-N;MFCD05863914;AKOS015960067;AM85289;AS-2273;AT13105;CS-0112233;FT-0644888;A840532;J-513555;4-(4-methylpiperazine-1-carbonyl)phenyl-boronic acid pinacol ester;4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester, 97%;(4-methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl)methanone;(4-Methylpiperazine-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)phenyl]methanone;(4-Methyl-piperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone;(4-methyl-piperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]methanone;(4-Methyl-piperazine-1-yl)-[4-(4,4,5,5-tetramethyl -1,3,2-dioxaborolan-2-yl)-phenyl]-methanone;Methanone, (4-methyl-1-piperazinyl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Chemical Property of (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

Chemical Property:

• Vapor Pressure: 9.21E-09mmHg at 25°C
• Melting Point: 110-113°C
• Refractive Index: 1.547
• Boiling Point: 463.3°C at 760 mmHg
• PKA: 6.71±0.10(Predicted)
• Flash Point: 234°C
• PSA: 42.01000
• Density: 1.12g/cm³
• LogP: 1.24920
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 330.2114729
• Heavy Atom Count: 24
• Complexity: 451

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C

Technology Process of (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

There total 6 articles about (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone 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: 59.6%

(4-bromophenyl)-(4-methylpiperazin-1-yl)methanone (349395-87-5) + bis(pinacol)diborane (73183-34-3) → (4-methylpiperazine-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]methanone (832114-06-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In water; N,N-dimethyl-formamide; Reflux; Inert atmosphere;

Reference yield: 53.0%

→ (4-methylpiperazine-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]methanone (832114-06-4)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; for 0.0833333h;

at 20 ℃; for 16h;

Reference yield: 37.6%

1-methyl-piperazine (109-01-3) + 4-carboxyphenylboronic acid pinacol ester (180516-87-4) → (4-methylpiperazine-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]methanone (832114-06-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; water; N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

1-methyl-piperazine

4-carboxyphenylboronic acid pinacol ester

(4-bromophenyl)-(4-methylpiperazin-1-yl)methanone

bis(pinacol)diborane

Downstream raw materials:

(4-(3-(4-hydroxyphenyl)imidazo[l,2-a]pyrazin-6-yl)phenyl)(4-methylpiperazin-l-yl)methanone