2-Ethylphenylboronic acid

Base Information

• Chemical Name: 2-Ethylphenylboronic acid
• CAS No.: 90002-36-1
• Molecular Formula: C8H11BO2
• Molecular Weight: 149.985
• Hs Code.: 29319090
• European Community (EC) Number: 677-274-9
• DSSTox Substance ID: DTXSID60399321
• Nikkaji Number: J1.474.153D
• Wikidata: Q72476646
• Mol file: 90002-36-1.mol

Synonyms:2-Ethylphenylboronic acid;90002-36-1;(2-ethylphenyl)boronic acid;2-Ethylbenzeneboronic Acid;BORONIC ACID, (2-ETHYLPHENYL)-;MFCD02093075;2-Ethylphenylboronicacid;O-ETHYLPHENYLBORONIC ACID;2-ethylphenylboronic?acid;2-Ethylphenylboranic acid;2-Ethylphenyl boronic acid;2-ethylbenzene boronic acid;2-ethyl benzene boronic acid;SCHEMBL410387;DTXSID60399321;QSSPYZOSTJDTTL-UHFFFAOYSA-N;BCP30599;STK352560;AKOS003237622;AB10774;AC-5345;AM87395;CS-W008004;DS-2365;SY018048;E0818;FT-0612262;EN300-107506;J-509335;F0001-2209;Z336080172;(2-Ethylphenyl)Boranediol pound>>O-Ethylphenylboronic acid

Chemical Property of 2-Ethylphenylboronic acid

Chemical Property:

• Vapor Pressure: 0.000544mmHg at 25°C
• Melting Point: 102.5-107.5 °C(lit.)
• Refractive Index: 1.521
• Boiling Point: 299.1 °C at 760 mmHg
• PKA: 8.61±0.58(Predicted)
• Flash Point: 134.7 °C
• PSA: 40.46000
• Density: 1.07 g/cm³
• LogP: -0.07120
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.0852098
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

2-Ethylphenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1CC)(O)O

Technology Process of 2-Ethylphenylboronic acid

There total 4 articles about 2-Ethylphenylboronic 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: 85.0%

→ 2-ethylphenyl boronic acid (90002-36-1)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran; at 40 - 60 ℃; Inert atmosphere;

In tetrahydrofuran; for 6h; Inert atmosphere; Reflux;

Reference yield: 80.0%

1-phenyl-2-bromoethane (103-63-9) → 2-ethylphenyl boronic acid (90002-36-1)

Guidance literature:

1-phenyl-2-bromoethane; With magnesium; In tetrahydrofuran; at 20 ℃; for 1h;

With Triisopropyl borate; In tetrahydrofuran; at -78 - 20 ℃; for 49h;

With water; at 20 ℃; for 1h; Further stages.;

DOI:10.1021/jm001088u

Reference yield: 77.0%

1-bromo-2-ethylbenzene (1973-22-4) → 2-ethylphenyl boronic acid (90002-36-1)

Guidance literature:

1-bromo-2-ethylbenzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; Inert atmosphere;

With Triisopropyl borate; In tetrahydrofuran; pentane; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water; pentane; for 0.5h;

DOI:10.1002/chem.200801355

upstream raw materials:

1-phenyl-2-bromoethane

1-bromo-2-ethylbenzene

n-butyllithium

triethyl borate

Downstream raw materials:

4-(2-ethylphenyl)-6-methoxy-1,2-dihydronaphthalene

4-(2-ethylphenyl)-1H-indole-2-carboxylic acid

7-(2-ethylphenyl)-1-methyl-1,3-dihydro-2H-benzimidazol-2-one

o-ethylphenylthallium dichloride

Refernces

• 1、 Zehm, Daniel,Fudickar, Werner,Hans, Melanie,Schilde, Uwe,Kelling, Alexandra,Linker, Torsten. "9,10-diarylanthracenes as molecular switches: Syntheses, properties, isomerisations and their reactions with singlet oxygen". experimental part. p. 11429 - 11441. Retrieved 2009/12/03.
• 2、 -. "Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions". . . Retrieved 2008/06/13.