(4-(1-Hydroxyethyl)phenyl)boronic acid

Base Information

• Chemical Name: (4-(1-Hydroxyethyl)phenyl)boronic acid
• CAS No.: 518336-20-4
• Molecular Formula: C₈H₁₁BO₃
• Molecular Weight: 165.985
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40431814
• Mol file: 518336-20-4.mol

Synonyms:(4-(1-Hydroxyethyl)phenyl)boronic acid;518336-20-4;4-(1-Hydroxyethyl)phenylboronic acid;[4-(1-hydroxyethyl)phenyl]boronic Acid;Boronic acid, [4-(1-hydroxyethyl)phenyl]-;MFCD04112543;(4-(1-HYDROXYETHYL)PHENYL)BORONICACID;SCHEMBL4747797;DTXSID40431814;AKOS016846102;AM90105;DS-4756;SY103371;CS-0029540;FT-0735990;EN300-333146;Z1255489462

Chemical Property of (4-(1-Hydroxyethyl)phenyl)boronic acid

Chemical Property:

• Boiling Point: 350.8±44.0 °C(Predicted)
• PKA: 8.66±0.17(Predicted)
• Density: 1.20±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.0801244
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

4-(1-Hydroxyethyl)phenylboronicacid ^*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)C(C)O)(O)O

Technology Process of (4-(1-Hydroxyethyl)phenyl)boronic acid

There total 1 articles about (4-(1-Hydroxyethyl)phenyl)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: 93.0%

4-acetylphenylboronic acid (149104-90-5) → (4-(1-hydroxyethyl)phenyl)boronic acid (518336-20-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 ℃;

DOI:10.1021/ol901091f

Reference yield: 94.0%

(4-(1-hydroxyethyl)phenyl)boronic acid (518336-20-4) → 4-acetylphenylboronic acid (149104-90-5)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.200906710

Reference yield:

(4-(1-hydroxyethyl)phenyl)boronic acid (518336-20-4) → potassium 4-acetylphenyltrifluoroborate

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KHF₂ / methanol / 2 h / 0 °C

2: 92 percent / IBX / acetone / 2 h / Heating

With potassium hydrogen bifluoride; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In methanol; acetone;

DOI:10.1021/ja062974i

upstream raw materials:

4-acetylphenylboronic acid

Downstream raw materials:

(S)-4-(1-hydroxyethyl)phenylboronic acid

C₁₀H₁₃BO₄

4-acetylphenylboronic acid