2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95

Base Information

• Chemical Name: 2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95
• CAS No.: 19206-51-0
• Molecular Formula: C₈H₉BO₂
• Molecular Weight: 147.969
• Hs Code.: 2906299090
• Mol file: 19206-51-0.mol

Synonyms:2-(2-Hydroxyethyl)phenylboronic acid, dehydrated;

Chemical Property of 2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Melting Point: 70-72 °C
• Refractive Index: 1.541
• Boiling Point: 259.967 °C at 760 mmHg
• Flash Point: 111.025 °C
• PSA: 29.46000
• Density: 1.142 g/cm³
• LogP: -0.05320
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Hydroxyethyl)phenylboronicacid,dehydrated ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(2-Hydroxyethyl)benzeneboronic acid hemiester is used as an organic chemical synthesis intermediate.

Technology Process of 2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95

There total 8 articles about 2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95 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: 99.3%

2-(2-bromophenyl)ethyl tetrahydro-2H-pyran-2-yl ether (143888-88-4) → 2-(2-hydroxyethyl)benzene boronic acid cyclic monoester (19206-51-0)

Guidance literature:

2-(2-bromophenyl)ethyl tetrahydro-2H-pyran-2-yl ether; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ml200215j

Reference yield: 95.9%

Triisopropyl borate (5419-55-6) + 2-(2-bromophenyl)ethyl tetrahydro-2H-pyran-2-yl ether (143888-88-4) → 2-(2-hydroxyethyl)benzene boronic acid cyclic monoester (19206-51-0)

Guidance literature:

Triisopropyl borate; 2-(2-bromophenyl)ethyl tetrahydro-2H-pyran-2-yl ether; With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 1h;

Reference yield: 51.0%

tetrahydroxydiboron (13675-18-8) + 2-bromophenylethyl alcohol (1074-16-4) → 2-(2-hydroxyethyl)benzene boronic acid cyclic monoester (19206-51-0)

Guidance literature:

With tetrabutylammonium acetate; In acetonitrile; at 80 ℃; for 0.0166667h; Solvent;

DOI:10.1002/adsc.201800262

upstream raw materials:

1-hydroxy-1,4-dihydro-benzo[c][1,2]oxaborinin-3-one

1-hydroxy-1,4-dihydro-2H-benzo[c][1,2]azaborinin-3-one

o-cyanomethylphenyl dihydroxyborane

2-bromophenylethyl alcohol

Downstream raw materials:

4-fluoro-N-(1-hydroxy-3,4-dihydro-1H-benzo[c][1,2]oxaborinin-7-yl)-2-trifluoromethyl-benzamide

4-chloro-N-(1-hydroxy-3,4-dihydro-1H-benzo[c][1,2]oxaborinin-7-yl)-benzenesulfonamide

Refernces

• 1、 -. "TNIK MODULATORS, CONJUGATES, AND USES THEREOF". Paragraph 0373; 0375. . Retrieved 2019/05/10.
• 2、 Tomsho, John W.,Pal, Arnab,Hall, Dennis G.,Benkovic, Stephen J.. "Ring structure and aromatic substituent effects on the p K a of the benzoxaborole pharmacophore". . p. 48 - 52. Retrieved 2012/04/10.