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

Base Information

• Chemical Name: 2-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• CAS No.: 942922-07-8
• Molecular Formula: C15H27BN4O3
• Molecular Weight: 304.2
• Hs Code.: 2934999090
• European Community (EC) Number: 895-323-4
• DSSTox Substance ID: DTXSID30585971
• Wikidata: Q72495596
• Mol file: 942922-07-8.mol

Synonyms:942922-07-8;2-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER;2-(4-METHYLPIPERAZINO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER;MFCD08669592;(2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER;SCHEMBL1484840;DTXSID30585971;LGIDGOSYDQTQDO-UHFFFAOYSA-N;AKOS016001025;MB06445;AS-49897;SY300928;O10023;A859483;2-(4-Methyl-1-piperazinyl)pyrimidine-5-boronic Acid Pinacol Ester;2-(4-methyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

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

Chemical Property:

• Boiling Point: 445.9±55.0 °C(Predicted)
• PKA: 7.44±0.42(Predicted)
• PSA: 50.72000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 0.53050
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 304.2070562
• Heavy Atom Count: 22
• Complexity: 375

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine 95+% ^*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=CN=C(N=C2)N3CCN(CC3)C

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

There total 2 articles about 2-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine 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:

5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine (141302-36-5) + bis(pinacol)diborane (73183-34-3) → 2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (942922-07-8)

Guidance literature:

5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine; bis(pinacol)diborane; With potassium acetate; In 1,4-dioxane; for 0.25h;

With tricyclohexylphosphine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 2.25h;

Reference yield:

→ 2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (942922-07-8)

Guidance literature:

Reference yield: 63.0%

formic acid (64-18-6) + 2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (942922-07-8) + 7-bromo-N-(3-chloro-4-methoxyphenyl)quinolin-4-amine → N-(3-chloro-4-methoxyphenyl)-7-(2-(4-methylpiperazin-1-yl)pyrimidin-5-yl)quinolin-4-amine formate

Guidance literature:

2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine; 7-bromo-N-(3-chloro-4-methoxyphenyl)quinolin-4-amine; With palladium diacetate; triethylamine; In ethanol; water; at 120 ℃; Sealed tube; Microwave irradiation;

formic acid; In water; acetonitrile;

DOI:10.1021/acsinfecdis.7b00212

upstream raw materials:

5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine

bis(pinacol)diborane

Downstream raw materials:

N-(2-chloro-6-methylphenyl)-2-(2-methyl-2'-(4-methylpiperazin-1-yl)-4,5'-bipyrimidin-6-ylamino)thiazole-5-carboxamide

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