2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

Base Information

• Chemical Name: 2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER
• CAS No.: 940284-98-0
• Molecular Formula: C19H31BN4O4
• Molecular Weight: 390.291
• Hs Code.: 2934999090
• Mol file: 940284-98-0.mol

Synonyms:2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER;2-[4-(N-Boc)piperazin-1-yl]pyrimidine-5-boronic acid pinacol ester;2-(4-Boc-piperazino)pyrimidine-5-boronic acid pinacol ester;1-Piperazinecarboxylic acid, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, 1,1-dimethylethyl ester;tert-Butyl 4-(5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidin-2-yl)piperazine-1-carboxylate;tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaboro-lan-2-yl)pyrimidin-2-yl)piperazine-1-carboxy

Chemical Property of 2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

Chemical Property:

• Boiling Point: 525.2±60.0 °C(Predicted)
• PKA: 4.62±0.42(Predicted)
• PSA: 77.02000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 1.83580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Boc-piperazino)pyrimidine-5-boronicacidpinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

There total 4 articles about 2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC 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: 76.0%

tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate (374930-88-8) + bis(pinacol)diborane (73183-34-3) → tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate (940284-98-0)

Guidance literature:

With C₅₄H₄₄NO₂PPdS; potassium acetate; In 2-methyltetrahydrofuran; at 90 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02414

Reference yield: 57.0%

1-piperazinecarboxylic acid 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester (780705-64-8) + bis(pinacol)diborane (73183-34-3) → tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate (940284-98-0)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin; In tetrahydrofuran; at 20 ℃; for 30h; Inert atmosphere; Glovebox;

DOI:10.1021/ja412563e

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate (940284-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 23 h / 120 °C / Inert atmosphere

2: (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin / tetrahydrofuran / 30 h / 20 °C / Inert atmosphere; Glovebox

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin; potassium carbonate; In tetrahydrofuran; acetonitrile;

DOI:10.1021/ja412563e

upstream raw materials:

tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate

bis(pinacol)diborane

1-piperazinecarboxylic acid 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

4-(5-hydroxypyrimidin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-(5-{[4-(methylsulfonyl)benzyl]oxy}pyrimidin-2-yl)piperazine-1-carboxylate

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