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

Base Information

• Chemical Name: 2-(4-Butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 625458-85-7
• Molecular Formula: C16H25BO2
• Molecular Weight: 260.184
• Hs Code.: 2931900090
• European Community (EC) Number: 805-464-5
• DSSTox Substance ID: DTXSID20473616
• Nikkaji Number: J1.907.847G
• Wikidata: Q82303126
• Mol file: 625458-85-7.mol

Synonyms:2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;625458-85-7;4-Butylphenylboronic acid pinacol ester;SCHEMBL13471474;DTXSID20473616;CUOOVGGNLPMDIC-UHFFFAOYSA-N;MFCD20527105;AKOS017975405;AS-2650;CS-0175906;EN300-768216;F71740;A923010

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

Chemical Property:

• Boiling Point: 345.2±21.0 °C(Predicted)
• PSA: 18.46000
• Density: 0.96±0.1 g/cm3(Predicted)
• LogP: 3.32840
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 260.1947602
• Heavy Atom Count: 19
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

4-Butylphenylboronic acid pinacol ester ^*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=C(C=C2)CCCC

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

There total 11 articles about 2-(4-Butylphenyl)-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%

p-bromobutylbenzene (41492-05-1) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (625458-85-7)

Guidance literature:

With magnesium; triethylamine; In tetrahydrofuran; for 15h; Inert atmosphere; Reflux;

DOI:10.1021/ja1052973

Reference yield: 90.0%

p-bromobutylbenzene (41492-05-1) + bis(pinacol)diborane (73183-34-3) → 2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (625458-85-7)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 110 ℃; for 12h;

Reference yield: 90.0%

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (61676-62-8) + p-bromobutylbenzene (41492-05-1) → 2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (625458-85-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.dyepig.2013.02.007

upstream raw materials:

p-bromobutylbenzene

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

4-n-butylchlorobenzene

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

Downstream raw materials:

1-butyl-4-(trifluoromethyl)benzene

1-butyl-4-(perfluoropropyl)benzene

2-(4-n-butylphenyl)pyridine

C₁₄H₁₅NO₂S