Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

Base Information

• Chemical Name: Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
• CAS No.: 1073353-61-3
• Molecular Formula: C17H26BNO4
• Molecular Weight: 301.193
• Hs Code.: 2934999090
• European Community (EC) Number: 806-657-7
• DSSTox Substance ID: DTXSID40584894
• Wikidata: Q82476640
• Mol file: 1073353-61-3.mol

Synonyms:1073353-61-3;Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone;3-(1-Pyrrolidinylcarbonyl)benzeneboronic acid pinacol ester;3-Pyrrolidinylcarbonylphenylboronic acid, pinacol ester;[3-(Pyrrolidine-1-carbonyl)phenyl]boronic acid pinacol ester;3-Pyrrolidinylcarbonylphenylboronic acid pinacol ester;pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;3-(Pyrrolidine-1-carbonyl)phenylboronic acid pinacol ester;DTXSID40584894;YSB35361;MFCD09027086;AKOS016006502;AM86276;AS-2271;CS-0175655;I12166;A907778;J-001799;3-(Pyrrolidine-1-carbonyl)benzeneboronic acid pinacol ester;3-(Pyrrolidine-1-carbonyl)phenylboronic acid pinacol ester, 96%;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]pyrrolidine;(Pyrrolidin-1-yl)[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

Chemical Property of Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

Chemical Property:

• Melting Point: 92-98 °C
• Boiling Point: 452.1±28.0 °C(Predicted)
• PKA: -1.41±0.20(Predicted)
• PSA: 38.77000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 2.15970
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 301.1849238
• Heavy Atom Count: 22
• Complexity: 416

Purity/Quality:

97% ^*data from raw suppliers

[3-(Pyrrolidine-1-carbonyl)phenyl]boronicAcidPinacolEster ^*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)C(=O)N3CCCC3

Technology Process of Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone

There total 8 articles about Pyrrolidin-1-yl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone 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: 89.0%

pyrrolidine (123-75-1) + 3-carboxyphenylboronic acid pinacol ester (269409-73-6) → pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone (1073353-61-3)

Guidance literature:

With benzotriazol-1-ol; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.06.032

Reference yield: 81.0%

(3-iodophenyl)(pyrrolidin-1-yl)methanone (349118-15-6) + bis(pinacol)diborane (73183-34-3) → pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone (1073353-61-3)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 80 ℃; Inert atmosphere;

Reference yield: 65.0%

n-benzoylpyrrolidine (3389-54-6) + bis(pinacol)diborane (73183-34-3) → pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone (1073353-61-3)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; C₁₉H₁₃N₃O; potassium tert-butylate; In tetrahydrofuran; at 80 ℃; for 12h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201809929

upstream raw materials:

pyrrolidine

3-carboxyphenylboronic acid pinacol ester

3-Carboxyphenylboronic acid

benzoic acid

Downstream raw materials:

C₁₉H₂₂BrNO₆

3-bromo-5-hydroxy-4-[3-(pyrrolidine-1-carbonyl)-phenyl]-5H-furan-2-one

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