4,4,5,5-Tetramethyl-2-(4-phenylbut-1-yn-1-yl)-1,3,2-dioxaborolane

Base Information

• Chemical Name: 4,4,5,5-Tetramethyl-2-(4-phenylbut-1-yn-1-yl)-1,3,2-dioxaborolane
• CAS No.: 159087-44-2
• Molecular Formula: C16H21BO2
• Molecular Weight: 256.153
• DSSTox Substance ID: DTXSID70565575
• Nikkaji Number: J618.794C
• Wikidata: Q82450749
• Mol file: 159087-44-2.mol

Synonyms:159087-44-2;4,4,5,5-Tetramethyl-2-(4-phenylbut-1-yn-1-yl)-1,3,2-dioxaborolane;DTXSID70565575

Chemical Property of 4,4,5,5-Tetramethyl-2-(4-phenylbut-1-yn-1-yl)-1,3,2-dioxaborolane

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.1634601
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C#CCCC2=CC=CC=C2

Technology Process of 4,4,5,5-Tetramethyl-2-(4-phenylbut-1-yn-1-yl)-1,3,2-dioxaborolane

There total 2 articles about 4,4,5,5-Tetramethyl-2-(4-phenylbut-1-yn-1-yl)-1,3,2-dioxaborolane 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%

4-Phenyl-1-butyne (16520-62-0) + 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (61676-62-8) → 4,4,5,5-tetramethyl-2-(4-phenyl-but-1-yn-1-yl)-1,3,2-dioxaborolane (159087-44-2)

Guidance literature:

4-Phenyl-1-butyne; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Schlenk technique; Inert atmosphere;

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In tetrahydrofuran; at -78 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1039/c6cc04717c

Reference yield:

4-Phenyl-1-butyne (16520-62-0) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4,4,5,5-tetramethyl-2-(4-phenyl-but-1-yn-1-yl)-1,3,2-dioxaborolane (159087-44-2)

Guidance literature:

With C₃₁H₄₃IrN₂Si; In benzene-d6; at 20 ℃; for 0.216667h; chemoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1021/ja311682c

Reference yield: 68.0%

4,4,5,5-tetramethyl-2-(4-phenyl-but-1-yn-1-yl)-1,3,2-dioxaborolane (159087-44-2) + bicyclo[2.2.1]hepta-2,5-diene (121-46-0) + dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) → (3aS,4S,7R,7aR)-2-phenethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-1-one

Guidance literature:

4,4,5,5-tetramethyl-2-(4-phenyl-but-1-yn-1-yl)-1,3,2-dioxaborolane; dicobalt octacarbonyl; In dichloromethane; at 20 ℃; for 1h; Schlenk technique; Inert atmosphere;

bicyclo[2.2.1]hepta-2,5-diene; In dichloromethane; for 0.0833333h; Schlenk technique; Inert atmosphere;

With 4-methylmorpholine N-oxide; In dichloromethane; at 20 ℃; stereoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/c6cc04717c

upstream raw materials:

4-Phenyl-1-butyne

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Downstream raw materials:

(CH₃)4C₂O₂BCHC((CH₂)2C₆H₅)C(BO₂C₂(CH₃)4)CH(CH₂)2C₆H₅

((CH₃)4C₂O₂BCHC((CH₂)2C₆H₅))2

((CH₃)4C₂O₂BCCH(CH₂)2C₆H₅)2

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 159087-44-2 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(4-phenyl-1-butynyl)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send