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

Base Information

• Chemical Name: 2-Isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 67562-20-3
• Molecular Formula: C10H21BO2
• Molecular Weight: 184.087
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50542086
• Nikkaji Number: J3.018.277D
• Wikidata: Q82418620
• Mol file: 67562-20-3.mol

Synonyms:67562-20-3;2-Isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;Isobutylboronic acid pinacol ester;4,4,5,5-tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane;MFCD17015837;(2-Methylpropyl)boronic acid ester;1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-methylpropyl)-;SCHEMBL10941261;DTXSID50542086;FHQMPOBQBLDZJE-UHFFFAOYSA-N;AC8015;AKOS006335379;AS-3112;SY223896;(2-methylpropyl)boronic acid pinacol ester;CS-0154257;EN300-1706214

Chemical Property of 2-Isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• Boiling Point: 192.6±9.0 °C(Predicted)
• PSA: 18.46000
• Density: 0.87±0.1 g/cm3(Predicted)
• LogP: 2.73460
• Storage Temp.: Refrigerated.
• Solubility.: Acetonitrile (Slightly), DMSO (Sparingly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.1634601
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98% ^*data from raw suppliers

Isobutylboronicacidpinacolester ^*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)CC(C)C

Technology Process of 2-Isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 1 articles about 2-Isobutyl-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: 62.8%

→ Dihydroxy-isobutyl-boran (84110-40-7) + 2-isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (67562-20-3)

Guidance literature:

Reference yield: 86.0%

2-isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (67562-20-3) + 3-(4-methoxyphenyl)propyl N,N-diisopropylcarbamate (959032-99-6) → (R)-2-(1-(4-methoxyphenyl)-5-methylhexan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1338073-39-4)

Guidance literature:

3-(4-methoxyphenyl)propyl N,N-diisopropylcarbamate; With sec.-butyllithium; (-)-sparteine; In diethyl ether; hexane; cyclohexane; at -78 ℃; for 5h;

2-isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In diethyl ether; hexane; cyclohexane; at -78 ℃; Reflux;

DOI:10.1021/ja2077813

Reference yield: 75.0%

2-isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (67562-20-3) + 3-(4-methoxyphenyl)propyl N,N-diisopropylcarbamate (959032-99-6) → (S)-2-(1-(4-methoxyphenyl)-5-methylhexan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Guidance literature:

3-(4-methoxyphenyl)propyl N,N-diisopropylcarbamate; With n-butyllithium; sparteine; In diethyl ether; at -78 ℃; for 5h; Inert atmosphere;

2-isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In diethyl ether; at -78 ℃; for 17h; Inert atmosphere;

DOI:10.1021/jacs.5b05848

Downstream raw materials:

C₂₇H₄₄BrN₃O₃

(R)-2-(1-(4-methoxyphenyl)-5-methylhexan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-methyl-1-phenylhexan-3-ol

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

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