tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
• CAS No.: 936250-21-4
• Molecular Formula: C20H32BN3O4
• Molecular Weight: 389.29678
• Hs Code.: 2934100090
• European Community (EC) Number: 692-050-0
• DSSTox Substance ID: DTXSID50592142
• Wikidata: Q82486088
• Mol file: 936250-21-4.mol

Synonyms:936250-21-4;tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate;2-(4-BOC-piperazino)pyridine-4-boronic acid, pinacol ester;2-(4-TERT-BUTOXYCARBONYLPIPERAZIN-1-YL)PYRIDINE-4-BORONIC ACID, PINACOL ESTER;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate;MFCD06797996;4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl;2-(4-BOC-PIPERAZIN-1-YL)PYRIDINE-4-BORONIC ACID PINACOL ESTER;2-(4-tert-Butoxycarbonylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester, AldrichCPR;SCHEMBL1073012;2-(4-BOC-piperazino)pyridine-4-boronic acid pinacol ester;DTXSID50592142;NQBNJXYYAKBREJ-UHFFFAOYSA-N;2-(4-tert-Butoxycarbonylpiperazin-1-yl)pyridine-4-boronic acid pinacol ester;AKOS015950032;AB29765;tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate;PS-12961;SY123026;CS-0038771;EN300-212579;W11814;J-506096;Z2044751036;2-(4-Boc-1-piperazinyl)pyridine-4-boronic Acid Pinacol Ester;tert-Butyl4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate

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

Chemical Property:

• Vapor Pressure: 4.82E-11mmHg at 25°C
• Boiling Point: 523.2°C at 760 mmHg
• PKA: 7.58±0.29(Predicted)
• Flash Point: 270.2°C
• PSA: 64.13000
• Density: 1.14g/cm³
• LogP: 2.44080
• Storage Temp.: 2-8°C
• 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:

98%min ^*data from raw suppliers

2-(4-BOC-piperazino)pyridine-4-boronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about tert-Butyl 4-(4-(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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-yl)piperazine (957198-31-1) → tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate (936250-21-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b01255

Reference yield:

C14H20IN3O2 + bis(pinacol)diborane (73183-34-3) → tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate (936250-21-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane;

Reference yield:

tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate (1197294-80-6) + bis(pinacol)diborane (73183-34-3) → tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate (936250-21-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium acetate; In 1,4-dioxane; at 110 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2017.01.016

upstream raw materials:

di-tert-butyl dicarbonate

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-yl)piperazine

tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate

bis(pinacol)diborane

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