3-Ethoxyphenylboronic acid

Base Information

• Chemical Name: 3-Ethoxyphenylboronic acid
• CAS No.: 90555-66-1
• Molecular Formula: C8H11BO3
• Molecular Weight: 165.985
• Hs Code.: 29163990
• European Community (EC) Number: 677-320-8
• DSSTox Substance ID: DTXSID40378775
• Nikkaji Number: J1.575.966F
• Wikidata: Q72471912
• Mol file: 90555-66-1.mol

Synonyms:3-Ethoxyphenylboronic acid;90555-66-1;(3-ethoxyphenyl)boronic Acid;3-Ethoxybenzeneboronic Acid;3-Ethoxyphenyl boronic acid;Boronic acid, (3-ethoxyphenyl)-;MFCD00274219;3-Ethoxyphenylboronicacid;3-ethoxy-phenylboronic acid;SCHEMBL8553;3-Ethoxy Phenylboronic Acid;3-ethoxy phenyl boronic acid;DTXSID40378775;[3-(ethyloxy)phenyl]boronic acid;CHCWUTJYLUBETR-UHFFFAOYSA-N;AKOS004116593;AB05868;AC-5354;AM87402;CS-W002602;AS-37397;SY024923;E0724;FT-0615637;FT-0690153;EN300-177185;Q-102212;Z336079740;3-ethoxyphenylboronic acid;3-ETHOXYPHENYL BORONIC ACID;VP8

Chemical Property of 3-Ethoxyphenylboronic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 7.74E-05mmHg at 25°C
• Melting Point: 139-146 °C(lit.)
• Refractive Index: 1.518
• Boiling Point: 328.3 °C at 760 mmHg
• PKA: 8.14±0.10(Predicted)
• Flash Point: 152.3 °C
• PSA: 49.69000
• Density: 1.13 g/cm³
• LogP: -0.23490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.0801244
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

3-Ethoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)OCC)(O)O
• Uses: suzuki reaction 3-Ethoxyphenylboronic Acid is a useful research reagent for the synthesis of biologically active molecules. Reactant involved in:Cyanation for synthesis of aromatic and vinyl nitrilesMicrowave-assisted palladium-catalyzed arylation of resin supported pyrazinonesCopper-mediated N- and O-arylationsReactant involved in synthesis of biologically active molecules including:Amino derivatives of indole for use as isoprenylcysteine carboxyl methyltransferase inhibitors5-Arylindazole glucocorticoid receptor agonists and antagonists1,5-Diaryl-1,2,4-triazoles as cis-restricted combretastatin analogs

Technology Process of 3-Ethoxyphenylboronic acid

There total 2 articles about 3-Ethoxyphenylboronic 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:

boric acid tributyl ester (688-74-4) → (3-ethoxyphenyl)boronic acid (90555-66-1)

Guidance literature:

With diethyl ether; und anschliessenden Hydrolyse;

DOI:10.1021/ja01319a053

Reference yield:

boric acid tributyl ester (688-74-4) + water (7732-18-5) + (3-ethoxyphenyl)magnesium bromide (219706-48-6) → (3-ethoxyphenyl)boronic acid (90555-66-1)

Guidance literature:

DOI:10.1021/ja01319a053

Reference yield: 92.0%

chloroform (67-66-3,8013-54-5) + 4-phenoxyiodobenzene (2974-94-9) + (3-ethoxyphenyl)boronic acid (90555-66-1) → C21H18O3

Guidance literature:

With cesiumhydroxide monohydrate; sodium carbonate; sodium iodide; Trimethylacetic acid; In ethylene glycol; at 120 ℃; for 24h;

upstream raw materials:

boric acid tributyl ester

water

(3-ethoxyphenyl)magnesium bromide

Downstream raw materials:

methyl 4-[(2,4-dichlorobenzoyl)amino]-3'-ethoxy[1,1'-biphenyl]-3-carboxylate

1-ethoxy-3-methanesulfonyl-benzene