2-Ethoxyphenylboronic acid

Base Information

• Chemical Name: 2-Ethoxyphenylboronic acid
• CAS No.: 213211-69-9
• Molecular Formula: C8H11BO3
• Molecular Weight: 165.985
• Hs Code.: 29319090
• European Community (EC) Number: 680-122-4
• DSSTox Substance ID: DTXSID10370564
• Nikkaji Number: J1.604.868B
• Wikidata: Q69757050
• Mol file: 213211-69-9.mol

Synonyms:2-Ethoxyphenylboronic acid;213211-69-9;(2-ethoxyphenyl)boronic acid;2-Ethoxybenzeneboronic Acid;Boronic acid, (2-ethoxyphenyl)-;MFCD00674027;2-(Ethoxy)benzeneboronic acid;2-Ethoxyphenylboronicacid;2-ethoxyphenyl boronic acid;SCHEMBL22704;2-ethoxy phenyl boronic acid;2-Ethoxy-phenyl boronic acid;DTXSID10370564;[2-(ethyloxy)phenyl]boronic acid;DGFCTCGCMKEILT-UHFFFAOYSA-N;STK503706;AKOS000264850;AB06922;AC-5346;AM86753;CS-W016068;GS-6248;SY017780;3,4-DIMETHOXY-5-NITRO-BENZOICACID;E0723;FT-0612221;EN300-307614;Z336079908

Chemical Property of 2-Ethoxyphenylboronic acid

Chemical Property:

• Appearance/Colour: white to off-white crystals or crystalline powder
• Vapor Pressure: 7.43E-05mmHg at 25°C
• Melting Point: 97-102 °C(lit.)
• Refractive Index: 1.518
• Boiling Point: 328.8 °C at 760 mmHg
• PKA: 8.57±0.58(Predicted)
• Flash Point: 152.7 °C
• PSA: 49.69000
• Density: 1.13 g/cm³
• LogP: -0.23490
• Storage Temp.: Refrigerator (+4°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

Ethoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC=CC=C1OCC)(O)O
• Uses: Reactant involved in Suzuki-Miyaura cross-coupling reactions for synthesis of pyridines and pyrimidines1, reactions of bromo-N-methylpyrrole2, or synthesis of diarylbenzophenones3Reactant involved in:? ;Ipso-amidation with nitriles4? ;Studies of the effect of biaryl phosphine ligand structure on C-N and C-C bond formation5? ;Oxidative coupling via C-H arylation6 suzuki reaction Reactant involved in Suzuki-Miyaura cross-coupling reactions for synthesis of pyridines and pyrimidines, reactions of bromo-N-methylpyrrole, or synthesis of diarylbenzophenonesReactant involved in:Ipso-amidation with nitrilesStudies of the effect of biaryl phosphine ligand structure on C-N and C-C bond formationOxidative coupling via C-H arylation

Technology Process of 2-Ethoxyphenylboronic acid

There total 4 articles about 2-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) + 2-ethoxyphenylmagnesium bromide (41842-29-9) → (2-ethoxyphenyl)boronic acid (213211-69-9)

Guidance literature:

und anschliessenden Hydrolyse;

DOI:10.1021/ja01319a053

Reference yield:

boric acid tributyl ester (688-74-4) + water (7732-18-5) + 2-ethoxyphenylmagnesium bromide (41842-29-9) → (2-ethoxyphenyl)boronic acid (213211-69-9)

Guidance literature:

DOI:10.1021/ja01319a053

Reference yield:

Hg(C6H4-2-OC2H5)2 (92838-43-2) → (2-ethoxyphenyl)boronic acid (213211-69-9)

Guidance literature:

With boron trichloride; und Zersetzung das erhaltene <2-Aethoxy-phenyl>-bordichlorid mit Wasser;

upstream raw materials:

boric acid tributyl ester

2-ethoxyphenylmagnesium bromide

Hg(C₆H₄-2-OC₂H₅)2

water

Downstream raw materials:

2-Chloro-2'-ethoxy-5-methoxy-[1,1'-biphenyl]-4-carboxylic acid

2-(2'-ethoxybiphenyl-4-yl)-6-fluoro-3-methylquinoline-4-carboxylic acid

ethyl 1-[2-(2'-ethoxybiphenyl-4-yl)-7-methoxyquinolin-4-yl]piperidine-4-carboxylate

ethyl N-[2-(2'-ethoxybiphenyl-4-yl)-6-fluoroquinolin-4-yl]-beta-alaninate