4-(4-Methylpiperazinocarbonyl)methylphenylboronic acid, pinacol ester

Base Information

• Chemical Name: 4-(4-Methylpiperazinocarbonyl)methylphenylboronic acid, pinacol ester
• CAS No.: 1010104-30-9
• Molecular Formula: C19H29BN2O3
• Molecular Weight: 344.262
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10682391
• Wikidata: Q82606763
• Mol file: 1010104-30-9.mol

Synonyms:1010104-30-9;4-(4-Methylpiperazinocarbonyl)methylphenylboronic acid, pinacol ester;1-(4-Methylpiperazin-1-yl)-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;1-(4-Methylpiperazin-1-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one;1-(4-Methylpiperazin-1-yl)-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one;SCHEMBL2800935;DTXSID10682391;MFCD18783186;AKOS022180143;BS-26279;CS-0176518;FT-0711685

Chemical Property of 4-(4-Methylpiperazinocarbonyl)methylphenylboronic acid, pinacol ester

Chemical Property:

• Boiling Point: 490.7±45.0 °C(Predicted)
• PKA: 6.78±0.10(Predicted)
• PSA: 42.01000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 1.17810
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 344.2271230
• Heavy Atom Count: 25
• Complexity: 465

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Methylpiperazinocarbonyl)methylphenylboronicAcidPinacolEster ^*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)CC(=O)N3CCN(CC3)C

Technology Process of 4-(4-Methylpiperazinocarbonyl)methylphenylboronic acid, pinacol ester

There total 2 articles about 4-(4-Methylpiperazinocarbonyl)methylphenylboronic acid, pinacol ester 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:

2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one (349430-56-4) + bis(pinacol)diborane (73183-34-3) → 1-(4-methylpiperazine-1-yl)-2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]ethanone (1010104-30-9)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 150 ℃; for 0.333333h;

Reference yield:

→ 1-(4-methylpiperazine-1-yl)-2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]ethanone (1010104-30-9)

Guidance literature:

Reference yield: 58.0%

1-(4-methylpiperazine-1-yl)-2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]ethanone (1010104-30-9) + (6-bromothieno[3,2-d]pyrimidin-4-yl)-(2-methoxy-1-phenylethyl)amine → (S)-2-{4-[4-(2-methoxy-1-phenylethylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl}-1-(4-methylpiperazine-1yl)ethanone

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In N,N-dimethyl-formamide; at 85 ℃; Inert atmosphere;

upstream raw materials:

2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one

bis(pinacol)diborane

Refernces

• 1、 -. "QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES". Page/Page column 30-31. . Retrieved 2009/01/24.