2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 96649-78-4
• Molecular Formula: C12H23BO3
• Molecular Weight: 226.124
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60475179
• Wikidata: Q72451087
• Mol file: 96649-78-4.mol

Synonyms:2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;96649-78-4;2-cyclohexyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;BORONIC ACID CYCLOHEXANOL PINACOL ESTER;SCHEMBL6686933;DTXSID60475179;AKOS016006768;PB43990;PS-16148;CS-0364801;E73517

Chemical Property of 2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• PSA: 27.69000
• LogP: 2.92460
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.1740248
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 95+% ^*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)OC2CCCCC2

Technology Process of 2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 7 articles about 2-(Cyclohexyloxy)-4,4,5,5-tetramethyl-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: 99.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 2-(cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (96649-78-4)

Guidance literature:

With C₂₆H₆₀AlLiN₄; In benzene-d6; at 20 ℃; for 3h; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/chem.201801541

Reference yield: 99.0%

cyclohexyl acetate (622-45-7) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 2-(cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (96649-78-4)

Guidance literature:

With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate; In benzene-d6; at 20 ℃; for 3h; Inert atmosphere; Glovebox;

DOI:10.1002/asia.202100003

Reference yield: 96.0%

3,3-dimethyl-butan-2-one (75-97-8) + cyclohexanol (108-93-0) → 2-(cyclohexyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (96649-78-4)

Guidance literature:

With boronic acid; In toluene; Heating / reflux;

upstream raw materials:

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

cyclohexanol

3,3-dimethyl-butan-2-one

cyclohexanone

Downstream raw materials:

cyclohexanol

5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine