2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}oxane

Base Information

• Chemical Name: 2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}oxane
• CAS No.: 642066-70-4
• Molecular Formula: C₁₄H₂₅BO₄
• Molecular Weight: 268.161
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90695702
• Mol file: 642066-70-4.mol

Synonyms:DTXSID90695702;TRANS-2-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ALLYOXY]TETRAHYDROPYRAN;AB16069;AT17002;2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}oxane;4,4,5,5-tetramethyl-2-[3-(oxan-2-yloxy)prop-1-enyl]-1,3,2-dioxaborolane

Chemical Property of 2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}oxane

Chemical Property:

• Boiling Point: 323.0±52.0 °C(Predicted)
• PSA: 36.92000
• Density: 1.01±0.1 g/cm3(Predicted)
• LogP: 2.71720
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 268.1845894
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

trans-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)allyoxy]tetrahydropyran Aldrich ^*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)C=CCOC2CCCCO2

Technology Process of 2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}oxane

There total 2 articles about 2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}oxane 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: 81.0%

3-(tetrahydropyran-2'-yloxy)propyne (6089-04-9) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → (E)-4,4,5,5-tetramethyl-2-(3-((tetrahydro-2H-pyran-2-yl)oxy) propylene-1-yl)-1,3,2-dioxaborolane (642066-70-4)

Guidance literature:

With (cyclohexyl)2BH; at 20 - 35 ℃;

DOI:10.1002/anie.200701640

Reference yield: 81.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + 3-(tetrahydropyran-2'-yloxy)propyne (6089-04-9) → (E)-4,4,5,5-tetramethyl-2-(3-((tetrahydro-2H-pyran-2-yl)oxy) propylene-1-yl)-1,3,2-dioxaborolane (642066-70-4)

Guidance literature:

2,3-dimethyl-2,3-butane diol; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 40 ℃; Inert atmosphere;

3-(tetrahydropyran-2'-yloxy)propyne; With bis(cyclohexanyl)borane; In tetrahydrofuran; at 20 - 35 ℃; Inert atmosphere;

DOI:10.1002/chem.200802068

Reference yield:

(E)-4,4,5,5-tetramethyl-2-(3-((tetrahydro-2H-pyran-2-yl)oxy) propylene-1-yl)-1,3,2-dioxaborolane (642066-70-4) → perfluorophenyl (S,E)-2-(4-bromonaphthalen-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate

Guidance literature:

Multi-step reaction with 3 steps

1: toluene-4-sulfonic acid / methanol / 2 h / 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 18 h / 0 - 20 °C / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); (S)-(-)-2-phenyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole / 1,4-dioxane / 24 h / 20 °C / Autoclave; Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (S)-(-)-2-phenyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole; toluene-4-sulfonic acid; (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); triethylamine; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; methanol; dichloromethane;

DOI:10.1002/chem.201803543

upstream raw materials:

3-(tetrahydropyran-2'-yloxy)propyne

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

2,3-dimethyl-2,3-butane diol

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