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

Base Information

• Chemical Name: 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine
• CAS No.: 859833-22-0
• Molecular Formula: C18H28 B N O2
• Molecular Weight: 301.237
• Hs Code.: 2933399990
• European Community (EC) Number: 696-556-2
• DSSTox Substance ID: DTXSID60594536
• Wikidata: Q82489406
• Mol file: 859833-22-0.mol

Synonyms:859833-22-0;1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine;1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine;1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperidine;4-(1-Piperidinylmethyl)benzeneboronic acid pinacol ester;4-(Piperidin-1-ylmethyl)phenylboronic acid pinacol ester;4-(Piperidinomethyl)phenylboronic acid, pinacol ester;1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine;1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine;Piperidine,1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-;SCHEMBL427977;4-(Piperidinomethyl)phenylboronic acid pinacol ester;DTXSID60594536;HJKVRMHVLINDRH-UHFFFAOYSA-N;(4-(PIPERIDIN-1-YLMETHYL)PHENYL)BORONIC ACID PINACOL ESTER;MFCD08271932;AKOS016339726;AS-2351;SB15939;DB-076511;CS-0052662;EN300-99912;P10569;A863367;J-503193;4-((Piperidine)methyl) phenylboronic acid pinacol ester;Z1333127367;1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-piperidine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-piperidine;4-(PIPERIDIN-1-YLMETHYL)BENZENEBORONIC ACID, PINACOL ESTER 97%2-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]-1,2-OXAZINANE

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

Chemical Property:

• Vapor Pressure: 2.03E-06mmHg at 25°C
• Melting Point: 63 °C
• Boiling Point: 394.1°C at 760 mmHg
• Flash Point: 192.1°C
• PSA: 21.70000
• Density: 1.03g/cm³
• LogP: 2.90960
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 301.2213093
• Heavy Atom Count: 22
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

1-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCCCC3

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

There total 9 articles about 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)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: 80.0%

piperidine (110-89-4) + (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol (302348-51-2) → 1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperidine (859833-22-0)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; sodium carbonate; bis[2-(diphenylphosphino)phenyl] ether; In 5,5-dimethyl-1,3-cyclohexadiene; at 155 ℃; for 24h; Inert atmosphere; Reflux;

DOI:10.1021/ol402271a

Reference yield: 78.0%

piperidine (110-89-4) + 4-bromomethylphenylboronic acid pinacol ester (138500-85-3) → 1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperidine (859833-22-0)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2019.06.049

Reference yield: 77.0%

1-(4-bromobenzyl)piperidine (178162-69-1) + bis(pinacol)diborane (73183-34-3) → 1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperidine (859833-22-0)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In N,N-dimethyl-formamide; at 130 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jacs.7b03131

upstream raw materials:

piperidine

4-bromomethylphenylboronic acid pinacol ester

1-(4-bromobenzyl)piperidine

bis(pinacol)diborane

Downstream raw materials:

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

(R)-3-(4-(5-(4-(piperidin-1-ylmethyl)phenyl)thiophen-2-yl)-1H-1,2,3-triazol-1-yl)quinuclidine

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