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

Base Information

• Chemical Name: 4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)morpholine
• CAS No.: 364794-82-1
• Molecular Formula: C₁₈H₂₈BNO₃
• Molecular Weight: 317.236
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10412014
• Wikidata: Q82219152
• Mol file: 364794-82-1.mol

Synonyms:364794-82-1;4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)morpholine;4-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]morpholine;4-{2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}morpholine;4-{2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-morpholine;4-[2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl]-morpholine;SCHEMBL3323534;DTXSID10412014;MFCD04440854;AKOS016014503;AB20829;AS-7077;CS-0175659;C74877;A913628;F1393-0002;Morpholine,4-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-

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

Chemical Property:

• PSA: 30.93000
• LogP: 1.79840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 317.2162239
• Heavy Atom Count: 23
• Complexity: 380

Purity/Quality:

97% ^*data from raw suppliers

4-{2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-morpholine ^*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)CCN3CCOCC3

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

There total 2 articles about 4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)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:

2-(3-bromophenyl)-1-morholin-4-ylethanone (214209-93-5) → 4-{2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-morpholine (364794-82-1)

Guidance literature:

Multi-step reaction with 2 steps

1: BH₃*SMe₂ / tetrahydrofuran

2: PdCl₂dppf*CH₂Cl₂; KOAc / dimethylsulfoxide

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; dimethylsulfide borane complex; potassium acetate; In tetrahydrofuran; dimethyl sulfoxide;

DOI:10.1016/S0960-894X(02)00577-2

Reference yield:

bis(pinacol)diborane (73183-34-3) + 4-(3-bromophenethyl)morpholine (364793-86-2) → 4-{2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-morpholine (364794-82-1)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide;

DOI:10.1016/S0960-894X(02)00577-2

Reference yield:

4-{2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-morpholine (364794-82-1) + 7-bromo-4-[(2,4-dichloro-5-methoxyphenyl)amino]-3-quinolinecarbonitrile (364793-60-2) → 4-(2,4-Dichloro-5-methoxyanilino)-7-{3-[2-(4-morpholinyl)-ethyl]phenyl }-3-quinolinecarbonitrile

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane;

DOI:10.1016/S0960-894X(02)00577-2

upstream raw materials:

bis(pinacol)diborane

4-(3-bromophenethyl)morpholine

2-(3-bromophenyl)-1-morholin-4-ylethanone

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