3-Isopropoxy-4-methoxyphenylboronic acid

Base Information

• Chemical Name: 3-Isopropoxy-4-methoxyphenylboronic acid
• CAS No.: 516465-82-0
• Molecular Formula: C10H15BO4
• Molecular Weight: 210.038
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80470388
• Nikkaji Number: J1.852.168G
• Wikidata: Q82298467
• Mol file: 516465-82-0.mol

Synonyms:516465-82-0;3-ISOPROPOXY-4-METHOXYPHENYLBORONIC ACID;(3-Isopropoxy-4-methoxyphenyl)boronic acid;(4-methoxy-3-propan-2-yloxyphenyl)boronic acid;[4-methoxy-3-(propan-2-yloxy)phenyl]boronic acid;(3-Isopropoxy-4-methoxyphenyl)boronicacid;SCHEMBL5636990;DTXSID80470388;DMDYJEGUJMIPEX-UHFFFAOYSA-N;MFCD10699634;AKOS015838540;BS-28728;CS-0174519;N12258;A871213

Chemical Property of 3-Isopropoxy-4-methoxyphenylboronic acid

Chemical Property:

• Melting Point: 115-135 °C
• Boiling Point: 352.7±52.0 °C(Predicted)
• PKA: 8.62±0.10(Predicted)
• PSA: 58.92000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 0.16220
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.1063391
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

3-Isopropoxy-4-methoxyphenylboronicacid ^*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)OC)OC(C)C)(O)O

Technology Process of 3-Isopropoxy-4-methoxyphenylboronic acid

There total 6 articles about 3-Isopropoxy-4-methoxyphenylboronic 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: 81.0%

4-bromo-2-isopropoxy-1-methoxybenzene (462092-23-5) → (3-isopropoxy-4-methoxyphenyl)boronic acid (516465-82-0)

Guidance literature:

4-bromo-2-isopropoxy-1-methoxybenzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 1h;

With Trimethyl borate; In tetrahydrofuran; pentane; at -78 - 20 ℃;

DOI:10.1016/j.tet.2005.10.014

Reference yield:

5-bromo-2-methoxyphenol (37942-01-1) → (3-isopropoxy-4-methoxyphenyl)boronic acid (516465-82-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 96 percent / potassium carbonate / dimethylsulfoxide / 2 h / 55 °C

2.1: tert-butyllithium / tetrahydrofuran; pentane / 1 h / -78 °C

2.2: 81 percent / trimethyl borate / tetrahydrofuran; pentane / -78 - 20 °C

With tert.-butyl lithium; potassium carbonate; In tetrahydrofuran; dimethyl sulfoxide; pentane;

DOI:10.1016/j.tet.2005.10.014

Reference yield:

5-bromo-2-methoxyphenyl methanesulfonate (871571-19-6) → (3-isopropoxy-4-methoxyphenyl)boronic acid (516465-82-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 91 percent / LDA / heptane; tetrahydrofuran; ethylbenzene / 0.08 h / 0 °C

2.1: 96 percent / potassium carbonate / dimethylsulfoxide / 2 h / 55 °C

3.1: tert-butyllithium / tetrahydrofuran; pentane / 1 h / -78 °C

3.2: 81 percent / trimethyl borate / tetrahydrofuran; pentane / -78 - 20 °C

With tert.-butyl lithium; potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; dimethyl sulfoxide; pentane;

DOI:10.1016/j.tet.2005.10.014

upstream raw materials:

4-bromo-2-isopropoxy-1-methoxybenzene

5-bromo-2-methoxyphenyl methanesulfonate

2,4-dibromoanisole

2-methoxyphenyl mesylate

Downstream raw materials:

1-[2-(3,4-dimethoxy-phenyl)-ethyl]-3-(3-isopropoxy-4-methoxy-phenyl)-4-trifluoromethanesulfonyloxy-1H-pyrrole-2,5-dicarboxylic acid dimethyl ester

8,9-dihydro-3,11-diisopropoxy-14-(3-isopropoxy-4-methoxyphenyl)-2,12-dimethoxy-6H-[1]benzopyrano[4′,3′:4,5]pyrrolo[2,1-α]isoquinolin-6-one

3-isopropoxy-14-(3-isopropoxy-4-methoxyphenyl)-2,11,12-trimethoxy-8,9-dihydro-6H-chromeno[4′,3′:4,5]pyrrolo[2,1-a]-isoquinolin-6-one

3,11-dihydroxy-14-(3-hydroxy-4-methoxyphenyl)-2,12-dimethoxy-6H-[1]benzopyrano-[4′,3′:4,5]pyrrolo[2,1-a]isoquinolin-6-one

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