4-Propylsulfanylphenylboronic acid

Base Information

• Chemical Name: 4-Propylsulfanylphenylboronic acid
• CAS No.: 279261-73-3
• Molecular Formula: C9H13BO2S
• Molecular Weight: 196.078
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80471693
• Nikkaji Number: J1.520.566K
• Wikidata: Q82300332
• Mol file: 279261-73-3.mol

Synonyms:4-PROPYLSULFANYLPHENYLBORONIC ACID;279261-73-3;(4-(Propylthio)phenyl)boronic acid;(4-propylsulfanylphenyl)boronic Acid;[4-(propylsulfanyl)phenyl]boronic acid;4-(propylthio)phenylboronic acid;SCHEMBL3062911;DTXSID80471693;MAQOXROSRCOBHR-UHFFFAOYSA-N;(4-(Propylthio)phenyl)boronicacid;MFCD06801730;AKOS004113988;AB30191;BS-23277;CS-0175990

Chemical Property of 4-Propylsulfanylphenylboronic acid

Chemical Property:

• Boiling Point: 354.7±44.0 °C(Predicted)
• PKA: 8.53±0.17(Predicted)
• PSA: 65.76000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 0.86850
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.0729310
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

4-Propylsulfanylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Propylsulfanylphenylboronic acid

There total 1 articles about 4-Propylsulfanylphenylboronic 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: 86.0%

4-bromophenyl(1-propyl)sulfane (76542-19-3) → 4-propylsulfanylphenylboronic acid (279261-73-3)

Guidance literature:

4-bromophenyl(1-propyl)sulfane; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 - -40 ℃; for 0.5h;

With Triisopropyl borate; In tetrahydrofuran; hexanes; at 20 ℃;

With hydrogenchloride; potassium hydroxide; more than 3 stages;

Reference yield: 51.0%

trifluoromethanesulfonic acid 6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl ester (648904-46-5) + 4-propylsulfanylphenylboronic acid (279261-73-3) → 1-(2-{4-[2-(4-propylsulfanyl-phenyl)-6-methoxy-naphthalen-1-yloxy]-phenoxy}-ethyl)-piperidine (648905-94-6)

Guidance literature:

trifluoromethanesulfonic acid 6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl ester; 4-propylsulfanylphenylboronic acid; With cesium fluoride; Heating / reflux;

palladium diacetate; tricyclohexylphosphine; In acetonitrile; at 90 ℃; for 0.5h;

Reference yield:

4-propylsulfanylphenylboronic acid (279261-73-3) → (2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-(4'-propylsulfanyl-biphenyl-4-yloxy)-tetrahydro-pyran-3,4,5-triol

Guidance literature:

Multi-step reaction with 2 steps

1: 1 M NaHCO₃ / Pd(PPh₃)4 / 1,2-dimethoxy-ethane / 4 h / Heating

2: 90 percent / 0.001 M NaOMe / methanol

With sodium methylate; sodium hydrogencarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; 1,2-dimethoxyethane;

DOI:10.1039/C39950000645

upstream raw materials:

4-bromophenyl(1-propyl)sulfane

Downstream raw materials:

Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(4'-propylsulfanyl-biphenyl-4-yloxy)-tetrahydro-pyran-3-yl ester

1-(2-{4-[2-(4-propylsulfanyl-phenyl)-6-methoxy-naphthalen-1-yloxy]-phenoxy}-ethyl)-piperidine

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