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

Base Information

• Chemical Name: 4-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
• CAS No.: 876316-33-5
• Molecular Formula: C17H26 B N O3
• Molecular Weight: 321.21952
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50585933
• Nikkaji Number: J2.927.906C
• Wikidata: Q82477952
• Mol file: 876316-33-5.mol

Synonyms:876316-33-5;4-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine;2-(4-MORPHOLINOMETHYL)PHENYLBORONIC ACID PINACOL ESTER;2-(Morpholinomethyl)phenylboronic acid pinacol ester;2-(MORPHOLINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER;4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;4-{[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine;MFCD07781208;2-(MORPHOLIN-4-YLMETHYL)BENZENEBORONIC ACID, PINACOL ESTER 95+%4-[2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]MORPHOLINE;SCHEMBL870038;DTXSID50585933;WCNXVDLZTGODQW-UHFFFAOYSA-N;4-{[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine;AKOS015960078;AB42572;AM87355;AS-72307;SY294656;CS-0173958;E85588;EN300-1706345;A862497;J-513240;2-(Morpholinomethyl)phenylboronic acid pinacol ester, AldrichCPR;4-[2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-morpholine

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

Chemical Property:

• Vapor Pressure: 6.71E-07mmHg at 25°C
• Boiling Point: 120 °C
• Flash Point: 201.2°C
• PSA: 30.93000
• Density: 1.08g/cm³
• LogP: 1.75590
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 303.2005739
• Heavy Atom Count: 22
• Complexity: 366

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Morpholinomethyl)phenylboronicAcidPinacolEster ^*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=CC=C2CN3CCOCC3

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

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

morpholine (110-91-8,99108-56-2) + 2-(2-(bromomethyl)phenyl)-4,4,5,5,-tetramethyl-1,3,2-dioxaborolane (377780-72-8) → C17H26BNO3 (876316-33-5)

Guidance literature:

With PS-NMM; In tetrahydrofuran; at 150 ℃; for 0.25h; Microwave irradiation; in air;

DOI:10.1021/co100011g

Reference yield:

benzyl bromide (100-39-0) → C17H26BNO3 (876316-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 20 °C

2: bis(η⁴-1,5-cyclooctadiene)-di-μ-methoxy-diiridium(I) / tetrahydrofuran / 12 h / 80 °C / Inert atmosphere; Glovebox; Sealed tube

With bis(η⁴-1,5-cyclooctadiene)-di-μ-methoxy-diiridium(I); potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/acs.joc.2c00046

Reference yield:

1-bromo-4-methoxy-benzene (104-92-7) + C17H26BNO3 (876316-33-5) → 4-((4'-methoxybiphenyl-2-yl)methyl)morpholine (1416779-27-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 130 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1055/s-0032-1317205 DOI:10.1055/s-0032-1317205

upstream raw materials:

morpholine

2-(2-(bromomethyl)phenyl)-4,4,5,5,-tetramethyl-1,3,2-dioxaborolane

benzyl bromide

Downstream raw materials:

4-((4'-methoxybiphenyl-2-yl)methyl)morpholine

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