3-Phenoxyphenylboronic acid

Base Information

• Chemical Name: 3-Phenoxyphenylboronic acid
• CAS No.: 221006-66-2
• Molecular Formula: C12H11BO3
• Molecular Weight: 214.029
• Hs Code.: 2931900090
• European Community (EC) Number: 681-834-8
• DSSTox Substance ID: DTXSID10436018
• Nikkaji Number: J1.191.285K
• Wikidata: Q69757978
• Mol file: 221006-66-2.mol

Synonyms:3-Phenoxyphenylboronic acid;(3-phenoxyphenyl)boronic Acid;221006-66-2;3-PHENOXYBENZENEBORONIC ACID;Boronic acid, (3-phenoxyphenyl)-;MFCD07780272;(3-phenoxyphenyl)boronicAcid;SCHEMBL257834;AMY1606;DTXSID10436018;LOPQWMNOCSRRSR-UHFFFAOYSA-N;WIA00666;BBL100701;STL554495;AKOS005255200;3-Phenoxybenzeneboronic acid, AldrichCPR;MS-20065;CS-0174529;FT-0681652;D97546;EN300-7370405;A815921;J-513026;Z2044751387

Chemical Property of 3-Phenoxyphenylboronic acid

Chemical Property:

• Melting Point: 138-143℃
• Boiling Point: 391.1±44.0 °C(Predicted)
• PKA: 7.82±0.10(Predicted)
• PSA: 49.69000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 1.15870
• Storage Temp.: Room temperature.
• Solubility.: Slightly soluble.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.0801244
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

3-PhenoxyphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)OC2=CC=CC=C2)(O)O
• Uses: The extensive use of products containing PBDEs has resulted in the release of 3-Phenoxybenzeneboronic acid.

Technology Process of 3-Phenoxyphenylboronic acid

There total 2 articles about 3-Phenoxyphenylboronic 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: 81.0%

→ 3-phenoxyphenylboronic acid (221006-66-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 3h; Inert atmosphere;

In tetrahydrofuran; at -78 - 20 ℃;

Reference yield:

3-bromodiphenyl ether (6876-00-2) → 3-phenoxyphenylboronic acid (221006-66-2)

Guidance literature:

3-bromodiphenyl ether; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 25 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 25 ℃; for 0.5h;

Reference yield: 97.0%

4-iodostyrene (2351-50-0,24936-53-6) + 3-phenoxyphenylboronic acid (221006-66-2) + Trimethylacetic acid (75-98-9) → C21H16O2

Guidance literature:

With cesiumhydroxide monohydrate; sodium carbonate; sodium iodide; iron(II) chloride; In chloroform; at 120 ℃; for 15h;

upstream raw materials:

3-bromodiphenyl ether

Downstream raw materials:

2-(3-phenoxy-phenyl)-[1,3,6,2]dioxazaborocane

ethyl 3-(3-phenoxyphenyl)-2-furancarboxylate

1-(8-(3-phenoxyphenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone

methyl (3-phenoxyphenyl)carbamate