(3-Methoxy-2-methylphenyl)boronic acid

Base Information

• Chemical Name: (3-Methoxy-2-methylphenyl)boronic acid
• CAS No.: 1313617-76-3
• Molecular Formula: C₈H₁₁BO₃
• Molecular Weight: 165.985
• Hs Code.: 2931900090
• European Community (EC) Number: 815-174-0
• DSSTox Substance ID: DTXSID60706773
• Wikidata: Q82640302
• Mol file: 1313617-76-3.mol

Synonyms:1313617-76-3;(3-methoxy-2-methylphenyl)boronic acid;3-methoxy-2-methylphenylboronic acid;3-Methoxy-2-methylbenzeneboronicacid;Boronic acid, B-(3-methoxy-2-methylphenyl)-;DTXSID60706773;MFCD18398348;3-Methoxy-2-methylbenzeneboronic acid;(3-methoxy-2-methylphenyl)boronicacid;AKOS025395981;DS-8498;3-METHOXY-2-METHYLPHENYLBORONICACID;CS-0101369;I12052;EN300-3219496;2-Borono-6-methoxytoluene, 3-Borono-2-methylanisole

Chemical Property of (3-Methoxy-2-methylphenyl)boronic acid

Chemical Property:

• PSA: 49.69000
• LogP: -0.31660
• 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: 2
• Exact Mass: 166.0801244
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

B-(3-Methoxy-2-methylphenyl)boronic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=CC=C1)OC)C)(O)O

Technology Process of (3-Methoxy-2-methylphenyl)boronic acid

There total 3 articles about (3-Methoxy-2-methylphenyl)boronic 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: 87.0%

Triisopropyl borate (5419-55-6) + 1-bromo-3-methoxy-2-methylbenzene (31804-36-1) → (3-methoxy-2-methylphenyl)boronic acid (1313617-76-3)

Guidance literature:

1-bromo-3-methoxy-2-methylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; hexane; water;

Reference yield:

3-bromo-2-methylaniline (55289-36-6) → (3-methoxy-2-methylphenyl)boronic acid (1313617-76-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; sodium nitrite / water / 1.5 h / Reflux

2.1: cesiumhydroxide monohydrate / N,N-dimethyl-formamide / 0.5 h / 20 °C / Molecular sieve

2.2: 4 h / 20 °C

3.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / tetrahydrofuran; hexane; toluene / 2 h / -78 °C / Inert atmosphere

3.2: 0.75 h / -20 - 20 °C

With n-butyllithium; cesiumhydroxide monohydrate; N,N,N,N,-tetramethylethylenediamine; sulfuric acid; sodium nitrite; In tetrahydrofuran; hexane; water; N,N-dimethyl-formamide; toluene;

Reference yield:

3-bromo-2-methylphenol (7766-23-6) → (3-methoxy-2-methylphenyl)boronic acid (1313617-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: cesiumhydroxide monohydrate / N,N-dimethyl-formamide / 0.5 h / 20 °C / Molecular sieve

1.2: 4 h / 20 °C

2.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / tetrahydrofuran; hexane; toluene / 2 h / -78 °C / Inert atmosphere

2.2: 0.75 h / -20 - 20 °C

With n-butyllithium; cesiumhydroxide monohydrate; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane; N,N-dimethyl-formamide; toluene;

upstream raw materials:

3-bromo-2-methylaniline

3-bromo-2-methylphenol

Triisopropyl borate

1-bromo-3-methoxy-2-methylbenzene

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