4-Isobutoxyphenylboronic acid

Base Information

• Chemical Name: 4-Isobutoxyphenylboronic acid
• CAS No.: 153624-44-3
• Molecular Formula: C₁₀H₁₅BO₃
• Molecular Weight: 194.038
• Hs Code.: 2931900090
• European Community (EC) Number: 624-381-3
• DSSTox Substance ID: DTXSID60584553
• Wikidata: Q72484990
• Mol file: 153624-44-3.mol

Synonyms:4-Isobutoxyphenylboronic acid;153624-44-3;(4-Isobutoxyphenyl)boronic acid;[4-(2-METHYLPROPOXY)PHENYL]BORONIC ACID;MFCD06798083;(4-Isobutoxyphenyl)boronicacid;P-ISOBUTOXYPHENYLBORONIC ACID;4-Isobutoxyphenylboronic acid ,97%;SCHEMBL1962389;DTXSID60584553;UCIPLLNDFCCBAC-UHFFFAOYSA-N;AKOS009318756;AB29806;CS-W015755;NCGC00249555-01;AS-18693;BP-12111;SY107198;N11947;B-[4-(2-METHYLPROPOXY)PHENYL]BORONIC ACID;J-515585;4-Isobutoxyphenylboronic acid(contains varying amounts of Anhydride)

Chemical Property of 4-Isobutoxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 99-104 °C(lit.)
• Refractive Index: 1.508
• Boiling Point: 335.137°C at 760 mmHg
• PKA: 8.70±0.16(Predicted)
• Flash Point: 156.486°C
• PSA: 49.69000
• Density: 1.08
• LogP: 0.40120
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.1114245
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

98% ^*data from raw suppliers

4-Isobutoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)OCC(C)C)(O)O
• Uses: suzuki reaction

Technology Process of 4-Isobutoxyphenylboronic acid

There total 1 articles about 4-Isobutoxyphenylboronic acid 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:

Trimethyl borate (121-43-7,63156-11-6) + 4-bromophenyl iso-butyl ether (30752-23-9) → para-isobutoxyphenylboronic acid (153624-44-3)

Guidance literature:

Reference yield: 90.02%

5-bromo-1-(2-cyanopyridin-4-yl)-1H-indazole-3-carboxylic acid diethylamide + para-isobutoxyphenylboronic acid (153624-44-3) → C28H29N5O2

Guidance literature:

With palladium diacetate; cesium fluoride; In water; N,N-dimethyl-formamide; at 95 - 100 ℃; for 10h; Reagent/catalyst;

DOI:10.1007/s12039-014-0644-6

Reference yield: 83.5%

5-bromo-2-(2'-H-3,4-dihydro-6,7-methoxyisoquinoline)furan-2-carboxamide + para-isobutoxyphenylboronic acid (153624-44-3) → (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-(4-isobutoxyphenyl)-2-furyl)methanone

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; dimethyl sulfoxide; at 100 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113336

upstream raw materials:

Trimethyl borate

4-bromophenyl iso-butyl ether

Downstream raw materials:

4,7-bis(4-isobutoxyphenyl)-2-isobutyl-2H-benzo[d][1,2,3]triazole

C₃₂H₃₂N₄O₄