Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
• CAS No.: 496786-98-2
• Molecular Formula: C20H32BN3O4
• Molecular Weight: 389.303
• Hs Code.: 2934999090
• European Community (EC) Number: 640-431-7
• DSSTox Substance ID: DTXSID80584676
• Wikidata: Q72450386
• Mol file: 496786-98-2.mol

Synonyms:496786-98-2;tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate;4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester;1-Boc-4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine;Tert-Butyl 4-[5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Yl]Piperazine-1-Carboxylate;6-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol ester;2-(4-TERT-BUTOXYCARBONYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER;tert-butyl 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate;2-(4-BOC-Piperazino)pyridine-5-boronic acid, pinacol ester;6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid pinacol ester;MFCD04039875;2-(4-Boc-piperazine)pyridine-5-boronic acid pinacol ester;2-(4-Boc-Piperazino)pyridine-5-boronic acid pinacol ester;JWUBVPJWWYYRLJ-UHFFFAOYSA-N;2-[4-(N-BOC)PIPERAZIN-1-YL]PYRIDINE-5-BORONIC ACID PINACOL ESTER;SCHEMBL182911;DTXSID80584676;BCP07992;CS-M2404;EX-A3895;WUA78698;6-(4-N-BOC-PIPERAZIN-1-YL)PYRIDINE-3-BORONIC ACID PINACOL ESTER;AKOS015960088;AS-2973;PB12307;PB46235;(6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER;1-Piperazinecarboxylic acid, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester;SY013846;TERT-BUTYL 4-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;AM20061256;TERT-BUTYL4-[5-(4,4,5,5-TETR;A22206;J-507661;2-(4-BOC-PIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER;6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid pinacol ester, 96%;?4-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1,1-dimethylethyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinecarboxylate;1-PIPERAZINECARBOXYLIC ACID,4-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]-,1,1-DIMETHYLETHYL ESTER;4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl-piperazine-1-carboxylic acid tert-butyl ester;t-butyl4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylatetert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]pip;tert-butyl4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate;tert-butyl4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxylate

Chemical Property of Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 9.48E-11mmHg at 25°C
• Melting Point: 165-169 °C
• Refractive Index: 1.536
• Boiling Point: 515.9 °C at 760 mmHg
• PKA: 8.41±0.31(Predicted)
• Flash Point: 265.8 °C
• PSA: 64.13000
• Density: 1.14 g/cm³
• LogP: 2.44080
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 389.2485867
• Heavy Atom Count: 28
• Complexity: 554

Purity/Quality:

99%, ^*data from raw suppliers

6-(4-Boc-piperazin-1-yl)pyridine-3-boronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C
• Uses: 6-(4-Boc-piperazin-1-yl)pyridine-3-boronic Acid Pinacol Ester is used as a reactant in the preparation of fluorogenic probes used to distinguish chemical warfare agents and their mimics.

Technology Process of Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate

There total 8 articles about Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate 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: 81.0%

pinacolboronic acid (25240-59-9) + 5-Bromo-2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridine (153747-97-8) → 2-(4-tert-butyloxycarbonyl-piperizin-1-yl)pyridine-5-boronic acid pinacol ester (496786-98-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In N,N-dimethyl-formamide; at 90 ℃; for 3h; Inert atmosphere;

Reference yield: 56.0%

bis(pinacol)diborane (73183-34-3) + 5-Bromo-2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridine (153747-97-8) → 2-(4-tert-butyloxycarbonyl-piperizin-1-yl)pyridine-5-boronic acid pinacol ester (496786-98-2)

Guidance literature:

With potassium acetate; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere;

Reference yield:

bis(pinacol)diborane (73183-34-3) + 5-Bromo-2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridine (153747-97-8) → (6-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-3-yl)boronic acid (919347-67-4) + 2-(4-tert-butyloxycarbonyl-piperizin-1-yl)pyridine-5-boronic acid pinacol ester (496786-98-2)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃; for 20.25h; Inert atmosphere;

upstream raw materials:

bis(pinacol)diborane

5-Bromo-2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridine

5-bromo-2-(piperazin-1-yl)pyridine

5-bromo-2-chloropyridine

Downstream raw materials:

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

C₃₉H₅₄N₆O₅Si

tert-butyl 4-{5-[2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-8-chloro-1-oxo-7-(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinolin-5-yl]pyridin-2-yl}piperazine-1-carboxylate

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