4-(2-Hydroxyethyl)phenylboronic acid

Base Information

• Chemical Name: 4-(2-Hydroxyethyl)phenylboronic acid
• CAS No.: 137756-89-9
• Molecular Formula: C8H11BO3
• Molecular Weight: 165.985
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90436399
• Wikidata: Q82251666
• Mol file: 137756-89-9.mol

Synonyms:137756-89-9;4-(2-HYDROXYETHYL)PHENYLBORONIC ACID;(4-(2-Hydroxyethyl)phenyl)boronic acid;[4-(2-hydroxyethyl)phenyl]boronic Acid;4-(2-Hydroxyethyl)phenylboronicacid;Boronic acid, [4-(2-hydroxyethyl)phenyl]-;VT1007;Boronic acid, B-[4-(2-hydroxyethyl)phenyl]-;SCHEMBL1421586;DTXSID90436399;KQXBZMDDTQEGMT-UHFFFAOYSA-N;MFCD03095135;AKOS006279443;(4-(2-Hydroxyethyl)phenyl)boronicacid;4-(2-hydroxy ethyl)phenyl boronic acid;DS-13717;CS-0157612;FT-0616541;EN300-2512081;J-501313

Chemical Property of 4-(2-Hydroxyethyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 359.891 °C at 760 mmHg
• Flash Point: 171.456 °C
• PSA: 60.69000
• Density: 1.209 g/cm³
• LogP: -1.09880
• Storage Temp.: Refrigerated.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.0801244
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-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)CCO)(O)O

Technology Process of 4-(2-Hydroxyethyl)phenylboronic acid

There total 6 articles about 4-(2-Hydroxyethyl)phenylboronic 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: 80.0%

Triisopropyl borate (5419-55-6) + 4-bromophenethanol (4654-39-1) → 4-(2-hydroxy ethyl)phenyl boronic acid (137756-89-9)

Guidance literature:

4-bromophenethanol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.333333h;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 20 ℃; for 0.25h;

Reference yield: 63.0%

4-bromophenethanol (4654-39-1) → 4-(2-hydroxy ethyl)phenyl boronic acid (137756-89-9)

Guidance literature:

4-bromophenethanol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

With hydrogenchloride; Triisopropyl borate; In tetrahydrofuran; hexane; water; at -78 - 20 ℃; for 1h;

Reference yield: 37.0%

Triisopropyl borate (5419-55-6) + 4-bromophenethanol (4654-39-1) + water (7732-18-5) → 4-(2-hydroxy ethyl)phenyl boronic acid (137756-89-9)

Guidance literature:

4-bromophenethanol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 35 ℃; for 1.5h;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 35 ℃;

water; With ammonium chloride; In tetrahydrofuran; hexane;

upstream raw materials:

4-bromophenethanol

Triisopropyl borate

water

Downstream raw materials:

4‐(2‐bromoethyl)phenylboronic acid

4-{2-[({[(4-Methylphenyl)sulfonyl]amino]carbonyl)oxy]ethyl}phenylboronic acid

Refernces

• 1、 -. "ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE". Paragraph 00282; 00353-00355. . Retrieved 2020/08/22.
• 2、 -. "Pyrazole compounds as anti-inflammatory and analgesic agents". Page 52. . Retrieved 2008/06/13.