2-(Ethylthio)phenylboronic acid

Base Information

• Chemical Name: 2-(Ethylthio)phenylboronic acid
• CAS No.: 362045-33-8
• Molecular Formula: C8H11BO2S
• Molecular Weight: 182.051
• Hs Code.: 2931900090
• European Community (EC) Number: 690-779-9
• DSSTox Substance ID: DTXSID70396381
• Wikidata: Q82197065
• Mol file: 362045-33-8.mol

Synonyms:362045-33-8;2-(ETHYLTHIO)PHENYLBORONIC ACID;2-Ethylthiophenylboronic acid;(2-Ethylthiophenyl)boronic acid;(2-ethylsulfanylphenyl)boronic Acid;2-(ETHYLTHIO)BENZENEBORONIC ACID;MFCD03095256;C8H11BO2S;BORONIC ACID, [2-(ETHYLTHIO)PHENYL]-;SCHEMBL3066737;2-ethylsulfanylphenylboronic acid;DTXSID70396381;2-Ethylsulfanylbenzeneboronic acid;SCGSNVLNGRYSAA-UHFFFAOYSA-N;AMY29195;2-(ETHYLTHIO)PHENYLBORONICACID;AKOS005254992;AB13625;2-ethylthiophenylboronic acid, AldrichCPR;DS-14622;FT-0644512;N12128;A823162;J-509338

Chemical Property of 2-(Ethylthio)phenylboronic acid

Chemical Property:

• Vapor Pressure: 3.9E-05mmHg at 25°C
• Melting Point: 42-46 °C
• Refractive Index: 1.571
• Boiling Point: 338.1 °C at 760 mmHg
• PKA: 8.47±0.58(Predicted)
• Flash Point: 158.3 °C
• PSA: 65.76000
• Density: 1.18 g/cm³
• LogP: 0.47840
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.0572809
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2-Ethylthiophenylboronicacid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1SCC)(O)O
• Uses: suzuki reaction

Technology Process of 2-(Ethylthio)phenylboronic acid

There total 1 articles about 2-(Ethylthio)phenylboronic 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:

Triisopropyl borate (5419-55-6) + 1-bromo-2-ethylsulfanylbenzene (87424-98-4) → [2-(ethylsulphanyl)phenyl]boronic acid (362045-33-8)

Guidance literature:

With hydrogenchloride; n-butyllithium; In diethyl ether; hexane; ethyl acetate;

Reference yield: 19.0%

[2-(ethylsulphanyl)phenyl]boronic acid (362045-33-8) + 2-bromo-3,3,3-trifluoropropene (1514-82-5) → ethyl(2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl)sulfane

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In tetrahydrofuran; water; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.202106531

Reference yield: 5.1%

[2-(ethylsulphanyl)phenyl]boronic acid (362045-33-8) + 6-(trifluoromethyl)-2,3-dichloroquinoxaline (55686-95-8) → 3-chloro-2-[2-(ethylsulfanyl)phenyl]-6-(trifluoromethyl)quinoxaline

Guidance literature:

6-(trifluoromethyl)-2,3-dichloroquinoxaline; With bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; at 20 ℃; for 2h;

[2-(ethylsulphanyl)phenyl]boronic acid; With sodium carbonate; In 1,4-dioxane; for 18h; Reflux;

upstream raw materials:

Triisopropyl borate

1-bromo-2-ethylsulfanylbenzene

Downstream raw materials:

C₂₇H₂₅Cl₂N₃S