2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 1256360-24-3
• Molecular Formula: C₁₃H₁₈BClO₂S
• Molecular Weight: 284.615
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20682342
• Wikidata: Q82606674
• Mol file: 1256360-24-3.mol

Synonyms:1256360-24-3;2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-Chloro-5-methylthiophenylboronic acid, pinacol ester;2-(3-chloro-5-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-Chloro-5-methylthiophenylboronic acid pinacol ester;DTXSID20682342;NMKTYEZBMMWCFQ-UHFFFAOYSA-N;MFCD16618973;AKOS015999647;AT16352;BS-19915;CS-0174432;A890073;5-Chloro-3-(meththio)phenylboronic acid pinacol ester;2-[3-Chloro-5-(methylsulfanyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property of 2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• Boiling Point: 378.4±37.0 °C(Predicted)
• Density: 1.15±0.1 g/cm3(Predicted)
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 284.0809088
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-methylthiophenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)SC

Technology Process of 2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 2 articles about 2-(3-Chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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: 66.0%

1-chloro-3-methylsulfanylbenzene (4867-37-2) + bis(pinacol)diborane (73183-34-3) → 2-(3-chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1256360-24-3)

Guidance literature:

With 4,4'-dimethyl-2,2'-bipyridines; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; In para-xylene; at 55 ℃; for 24h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201610041

Reference yield: 42.0%

1-chloro-3-methylsulfanylbenzene (4867-37-2) + bis(pinacol)diborane (73183-34-3) → 2-(4-chloro-2-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane + 2-(3-chloro-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1256360-24-3)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 5-(2-(4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl)phenyl)-2,2'-bipyridine; In para-xylene; at 55 ℃; for 24h; Overall yield = 64 %; Overall yield = 91 mg; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201610041

upstream raw materials:

1-chloro-3-methylsulfanylbenzene

bis(pinacol)diborane

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