3-Ethylphenylboronic acid

Base Information

• Chemical Name: 3-Ethylphenylboronic acid
• CAS No.: 90555-65-0
• Molecular Formula: C8H11 B O2
• Molecular Weight: 149.985
• Hs Code.: 2931900090
• European Community (EC) Number: 804-657-1
• DSSTox Substance ID: DTXSID70586043
• Wikidata: Q82478073
• Mol file: 90555-65-0.mol

Synonyms:3-Ethylphenylboronic acid;90555-65-0;(3-ethylphenyl)boronic acid;MFCD06657721;3-Ethylphenylboronicacid;Boronic acid, (3-ethylphenyl)-;Thyl3-methylbut-2-enoate;3-ethylphenyl boronic acid;SCHEMBL692342;DTXSID70586043;Boronic acid,B-(3-ethylphenyl)-;JIMVRUCDZGFJRE-UHFFFAOYSA-N;AMY14533;3-Ethylphenylboronic acid, AldrichCPR;AKOS009319831;AB25651;CS-W005541;BP-11416;DS-12881;SY015916;A22034;EN300-1262814;J-512434;m-ethylphenylboronic acid;3-ethylbenzeneboronic acid;Z381540870

Chemical Property of 3-Ethylphenylboronic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 102.5-107.5 C
• Boiling Point: 299.6°Cat760mmHg
• Flash Point: 135°C
• PSA: 40.46000
• Density: 1.07g/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:

97% ^*data from raw suppliers

3-Ethylphenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Ethylphenylboronic acid

There total 4 articles about 3-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: 84.0%

1-bromo-3-ethylbenzene (2725-82-8) → 3-ethylphenylboronic acid (90555-65-0)

Guidance literature:

With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo991853g

Reference yield: 24.0%

n-butyllithium (109-72-8,29786-93-4) + Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-3-ethylbenzene (2725-82-8) → 3-ethylphenylboronic acid (90555-65-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; hexane;

Reference yield:

1,3-dibromobenzene (108-36-1) → 3-ethylphenylboronic acid (90555-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / n-BuLi / tetrahydrofuran; hexane / -78 - 20 °C

2: 84 percent / n-BuLi; B(O-i-Pr)3 / tetrahydrofuran; hexane / -78 - 20 °C

With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; 1: Substitution / 2: Substitution;

DOI:10.1021/jo991853g

upstream raw materials:

1-bromo-3-ethylbenzene

1,3-dibromobenzene

n-butyllithium

Trimethyl borate

Downstream raw materials:

1-[2-(3-ethyl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one

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