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

Base Information

• Chemical Name: 4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
• CAS No.: 364794-79-6
• Molecular Formula: C17H26 B N O3
• Molecular Weight: 303.209
• Hs Code.: 2934999090
• European Community (EC) Number: 670-514-3
• DSSTox Substance ID: DTXSID80383722
• Nikkaji Number: J3.223.728B
• Wikidata: Q72493168
• Mol file: 364794-79-6.mol

Synonyms:364794-79-6;4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine;4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine;4-(Morpholinomethyl)phenylboronic acid pinacol ester;4-(4-Morpholinomethyl)phenylboronic acid pinacol ester;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;4-(Methylmorpholino)phenylboronic acid pinacol ester;4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine;4-(MORPHOLINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER;MFCD04974052;SCHEMBL146568;DTXSID80383722;JOIXYIWXEYXHHG-UHFFFAOYSA-N;(4-(MORPHOLINOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER;BCP06443;CS-D1015;4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine;AKOS015960144;AS-2278;PB27680;SY021924;AM20130016;FT-0754559;T3477;EN300-1706231;J-514241;4-((morpholino)methyl)phenylboronic acid pinacol ester;4-((morpholino)methyl)phenylboronicacid pinacol ester;4-((morpholino)methyl) phenylboronic acid pinacol ester;4-(4-morpholinomethyl) phenylboronic acid pinacol ester;Z1336747844;4-(4-Morpholinomethyl)phenylboronic acid pinacol ester, 97%;4-(4-MORPHOLINYLMETHYL)BENZENEBORONIC ACID PINACOL ESTER;2-[4-(Morpholinomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-[4-(morpholinomethyl)phenyl]-1,3,2-dioxaborolane;4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzyl)morpholine;4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)benzyl)morpholine;4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-morpholine;4-(4-(4, 4, 5, 5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl) morpholine

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

Chemical Property:

• Vapor Pressure: 1.24E-06mmHg at 25°C
• Melting Point: 76-78
• Boiling Point: 400.8°Cat760mmHg
• PKA: 6.49±0.10(Predicted)
• Flash Point: 196.2°C
• PSA: 30.93000
• Density: 1.08g/cm³
• LogP: 1.75590
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 303.2005739
• Heavy Atom Count: 22
• Complexity: 358

Purity/Quality:

99%, ^*data from raw suppliers

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCOCC3

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

There total 10 articles about 4-(4-(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) + 4-bromomethylphenylboronic acid pinacol ester (138500-85-3) → 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine (364794-79-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

Reference yield: 84.0%

4-[(4-bromophenyl)methyl]morpholine (132833-51-3) + bis(pinacol)diborane (73183-34-3) → 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine (364794-79-6)

Guidance literature:

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

Reference yield: 84.0%

morpholine (110-91-8,99108-56-2) + (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol (302348-51-2) → 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine (364794-79-6)

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; Reagent/catalyst; Inert atmosphere; Reflux;

DOI:10.1021/ol402271a

upstream raw materials:

4-[(4-bromophenyl)methyl]morpholine

bis(pinacol)diborane

4-bromo-benzaldehyde

4-(3-bromophenethyl)morpholine

Downstream raw materials:

C₄₅H₄₅N₃O₅

5-(4,6-bisbenzyloxy-biphenyl-3-yl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazol-3-carboxylic acid ethylamide

C₂₇H₂₉N₃O₅

7-amino-2-(4-(morpholinomethyl)phenyl)-5H-pyrido[3,2-b]indole-4-carboxamide

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