4-Benzyloxy-3-methylphenylboronic acid

Base Information

• Chemical Name: 4-Benzyloxy-3-methylphenylboronic acid
• CAS No.: 338454-30-1
• Molecular Formula: C14H15BO3
• Molecular Weight: 242.082
• Hs Code.: 29310095
• European Community (EC) Number: 833-564-9
• DSSTox Substance ID: DTXSID30590560
• Wikidata: Q72442426
• Mol file: 338454-30-1.mol

Synonyms:338454-30-1;4-benzyloxy-3-methylphenylboronic acid;(4-(Benzyloxy)-3-methylphenyl)boronic acid;4-Benzyloxy-3-methylbenzeneboronic acid;4-(Benzyloxy)-3-methylphenylboronic acid;(3-methyl-4-phenylmethoxyphenyl)boronic acid;MFCD06409944;(4-Benzyloxy-3-methylphenyl)boronic acid;[4-(benzyloxy)-3-methylphenyl]boronic acid;(4-Benzyloxy-3-methyl)benzeneboronic acid;SCHEMBL1163386;DTXSID30590560;BBL100673;STL554467;AKOS004114011;AB23817;CS-W012784;AS-17800;SY019961;(4-(Benzyloxy)-3-methylphenyl)boronicacid;DB-010655;B5169;(3-methyl-4-phenylmethoxy-phenyl)boronic acid;N12096;A821958;4-benzyloxy-3-methylphenylboronic acid, AldrichCPR;J-514504;4-Benzyloxy-3-methylbenzeneboronic acid(contains varying amounts of Anhydride);4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 4-Benzyloxy-3-methylphenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 102-106 °C
• Refractive Index: 1.586
• Boiling Point: 431.597 °C at 760 mmHg
• PKA: 8.74±0.17(Predicted)
• Flash Point: 214.822 °C
• PSA: 49.69000
• Density: 1.178 g/cm³
• LogP: 1.25380
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.1114245
• Heavy Atom Count: 18
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyloxy-3-methylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O
• Uses: suzuki reaction

Technology Process of 4-Benzyloxy-3-methylphenylboronic acid

There total 4 articles about 4-Benzyloxy-3-methylphenylboronic 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: 65.0%

1-(benzyloxy)-4-bromo-2-methylbenzene (338454-32-3) → [4-(benzyloxy)-3-methylphenyl]boronic acid (338454-30-1)

Guidance literature:

1-(benzyloxy)-4-bromo-2-methylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -70 ℃; for 0.666667h;

With Trimethyl borate; In tetrahydrofuran; hexane; at -70 - 20 ℃;

With hydrogenchloride; water; at 0 ℃;

Reference yield:

C16H19BO3 → [4-(benzyloxy)-3-methylphenyl]boronic acid (338454-30-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

DOI:10.1002/1521-3765(20001016)6:20<3821::AID-CHEM3821>3.0.CO;2-8

Reference yield:

4-Bromo-2-methylphenol (2362-12-1) → [4-(benzyloxy)-3-methylphenyl]boronic acid (338454-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 73 percent / K₂CO₃ / acetone / 8 h / Heating

2.1: BuLi / tetrahydrofuran; hexane / 2 h / -78 °C

2.2: tetrahydrofuran; hexane / -78 - 20 °C

3.1: 4.8 g / aq. HCl / tetrahydrofuran; hexane / 1 h / 0 °C

With hydrogenchloride; n-butyllithium; potassium carbonate; In tetrahydrofuran; hexane; acetone; 1.1: Etherification / 2.1: Metallation / 2.2: Substitution / 3.1: Hydrolysis;

DOI:10.1002/1521-3765(20001016)6:20<3821::AID-CHEM3821>3.0.CO;2-8

upstream raw materials:

4-Bromo-2-methylphenol

1-(benzyloxy)-4-bromo-2-methylbenzene

benzyl bromide

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