1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine

Base Information

• Chemical Name: 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine
• CAS No.: 852227-97-5
• Molecular Formula: C17H26 B N O2
• Molecular Weight: 287.2
• Hs Code.: 2934999090
• European Community (EC) Number: 878-848-3
• DSSTox Substance ID: DTXSID80406884
• Wikidata: Q82212019
• Mol file: 852227-97-5.mol

Synonyms:852227-97-5;1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;3-PIPERIDINOPHENYLBORONIC ACID, PINACOL ESTER;3-Piperidinophenylboronic acid pinacol ester;MFCD07368528;3-(Piperidin-1-yl)benzeneboronic acid, pinacol ester;SCHEMBL3762658;DTXSID80406884;1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;AMY32795;CJB22797;AKOS016001492;AB32040;AS-72236;CS-0061099;A21944;W18353;EN300-1674822;J-504094;Z2049762211;1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperidine;1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine, AldrichCPR

Chemical Property of 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine

Chemical Property:

• Vapor Pressure: 3.04E-07mmHg at 25°C
• Melting Point: 156 °C
• Refractive Index: 1.528
• Boiling Point: 419.4°C at 760 mmHg
• PKA: 5.47±0.40(Predicted)
• Flash Point: 207.5°C
• PSA: 21.70000
• Density: 1.04g/cm³
• LogP: 3.04110
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 287.2056592
• Heavy Atom Count: 21
• Complexity: 350

Purity/Quality:

97% ^*data from raw suppliers

1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine ^*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(=CC=C2)N3CCCCC3

Technology Process of 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine

There total 2 articles about 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine 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: 61.3%

1-(3-bromophenyl)-piperidine (84964-24-9) + bis(pinacol)diborane (73183-34-3) → 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine (852227-97-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; dichloromethane; at 80 ℃; for 12h;

DOI:10.1021/jm400349k

Reference yield:

→ 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine (852227-97-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 16h;

Reference yield: 21.0%

N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine hydrochloride (851684-46-3) + 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine (852227-97-5) → N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(3-(piperidin-1-yl)phenyl)quinazolin-4-amine (1432450-88-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; ethanol; at 80 ℃; for 12h;

DOI:10.1021/jm400349k

upstream raw materials:

1-(3-bromophenyl)-piperidine

bis(pinacol)diborane

Downstream raw materials:

N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(3-(piperidin-1-yl)phenyl)quinazolin-4-amine

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