3-Formyl-4-benzyloxyphenylboronic acid

Base Information

• Chemical Name: 3-Formyl-4-benzyloxyphenylboronic acid
• CAS No.: 121124-98-9
• Molecular Formula: C14H13BO4
• Molecular Weight: 256.06
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00400647
• Nikkaji Number: J1.684.848D
• Wikidata: Q82203652
• Mol file: 121124-98-9.mol

Synonyms:121124-98-9;3-Formyl-4-benzyloxyphenylboronic acid;4-Benzyloxy-3-formylphenylboronic acid;(4-(Benzyloxy)-3-formylphenyl)boronic acid;4-(benzyloxy)-3-formylphenylboronic acid;(3-formyl-4-phenylmethoxyphenyl)boronic acid;[4-(benzyloxy)-3-formylphenyl]boronic acid;SCHEMBL12030863;DTXSID00400647;AMY15183;WEA12498;MFCD02179487;AKOS004116511;AB11245;3-Formyl-4-(benzyloxy)phenylboronic acid;BS-30290;(4-(Benzyloxy)-3-formylphenyl)boronicacid;(4-benzyloxy-3-formyl-phenyl)boronic acid;CS-0174701;FT-0642958;1-N-CBZ-PIPERIDIN-4-YLOXY)ACETICACID;4-BENZYLOXY-3-FORMYLBENZENEBORONIC ACID;A804663;J-512571

Chemical Property of 3-Formyl-4-benzyloxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 489.835 °C at 760 mmHg
• Flash Point: 250.043 °C
• PSA: 66.76000
• Density: 1.263 g/cm³
• LogP: 0.75790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 256.0906891
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Formyl-4-benzyloxyphenylboronic acid

There total 3 articles about 3-Formyl-4-benzyloxyphenylboronic 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: 69.0%

2-(2-(benzyloxy)-5-bromophenyl)-1,3-dioxane (121124-96-7) → [4-(benzyloxy)-3-formylphenyl]boronic acid (121124-98-9) + 2-(phenylmethoxy)benzaldehyde (5896-17-3)

Guidance literature:

2-(2-(benzyloxy)-5-bromophenyl)-1,3-dioxane; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h; Large scale reaction;

With Triisopropyl borate; In tetrahydrofuran; hexane; at -75 - -10 ℃; for 3h; Enzymatic reaction;

With sulfuric acid; water; In tetrahydrofuran; hexane; at 40 ℃; for 4h; Enzymatic reaction;

DOI:10.1021/op200207h

Reference yield:

benzyl chloride (100-44-7) → [4-(benzyloxy)-3-formylphenyl]boronic acid (121124-98-9) + 2-(phenylmethoxy)benzaldehyde (5896-17-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium carbonate; sodium iodide / ethanol; water / 3 h / 22 °C / Inert atmosphere; Reflux; Large scale reaction

1.2: Inert atmosphere

2.1: sulfuric acid / cyclohexane / 77 - 83 °C / Inert atmosphere; Large scale reaction

3.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C / Large scale reaction

3.2: 3 h / -75 - -10 °C / Enzymatic reaction

3.3: 4 h / 40 °C / Enzymatic reaction

With n-butyllithium; sulfuric acid; sodium carbonate; sodium iodide; In tetrahydrofuran; ethanol; hexane; cyclohexane; water;

DOI:10.1021/op200207h

Reference yield:

5-bromosalicyclaldehyde (1761-61-1) → [4-(benzyloxy)-3-formylphenyl]boronic acid (121124-98-9) + 2-(phenylmethoxy)benzaldehyde (5896-17-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium carbonate; sodium iodide / ethanol; water / 3 h / 22 °C / Inert atmosphere; Reflux; Large scale reaction

1.2: Inert atmosphere

2.1: sulfuric acid / cyclohexane / 77 - 83 °C / Inert atmosphere; Large scale reaction

3.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C / Large scale reaction

3.2: 3 h / -75 - -10 °C / Enzymatic reaction

3.3: 4 h / 40 °C / Enzymatic reaction

With n-butyllithium; sulfuric acid; sodium carbonate; sodium iodide; In tetrahydrofuran; ethanol; hexane; cyclohexane; water;

DOI:10.1021/op200207h

upstream raw materials:

2-(2-(benzyloxy)-5-bromophenyl)-1,3-dioxane

benzyl chloride

5-bromosalicyclaldehyde

Downstream raw materials:

4,4'-dibenzyloxy-3'-<(S,S)-N-(tert-butoxycarbonyl)-4-(methoxycarbonyl)-2-oxo-1,3-oxazolidin-5-yl>biphenyl-3-carbaldehyde

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