4-Isopropylthiophenylboronic acid

Base Information

• Chemical Name: 4-Isopropylthiophenylboronic acid
• CAS No.: 380427-38-3
• Molecular Formula: C9H13BO2S
• Molecular Weight: 196.078
• Hs Code.: 2931900090
• European Community (EC) Number: 690-434-2
• DSSTox Substance ID: DTXSID30378486
• Wikidata: Q82167976
• Mol file: 380427-38-3.mol

Synonyms:380427-38-3;4-Isopropylthiophenylboronic acid;4-(Isopropylthio)phenylboronic acid;4-(Isopropylthio)benzeneboronic acid;(4-propan-2-ylsulfanylphenyl)boronic Acid;4-iso-Propylthiobenzeneboronic acid;MFCD03411947;BORONIC ACID, [4-[(1-METHYLETHYL)THIO]PHENYL]-;(4-(isopropylthio)phenyl)boronic acid;[4-(isopropylthio)phenyl]boronic acid;C9H13BO2S;SCHEMBL389046;[4-(PROPAN-2-YLSULFANYL)PHENYL]BORONIC ACID;4-Isopropylthiophenylboronicacid;DTXSID30378486;4-Isopropylthiobenzeneboronic acid;4-isopropylthiophenyl boronic acid;FYJDSWBEPMIWEC-UHFFFAOYSA-N;AMY13307;CS-M3189;AKOS004119259;AB14309;PS-9408;{4-[(1-methylethy)thio]phenyl}boronic acid;FT-0644538;I0950;{4-[(1-methylethyl)thio]phenyl}boronic acid;4-isopropylthiophenylboronic acid, AldrichCPR;{4-[(Propan-2-yl)sulfanyl]phenyl}boronic acid;EN300-7372413;[4-(ISOPROPYLSULFANYL)PHENYL]BORONIC ACID;J-515607

Chemical Property of 4-Isopropylthiophenylboronic acid

Chemical Property:

• Vapor Pressure: 2.06E-05mmHg at 25°C
• Melting Point: 82-88 °C
• Refractive Index: 1.559
• Boiling Point: 347.215 °C at 760 mmHg
• PKA: 8.40±0.16(Predicted)
• Flash Point: 163.79 °C
• PSA: 65.76000
• Density: 1.148 g/cm³
• LogP: 0.86690
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 196.0729310
• Heavy Atom Count: 13
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropylthiophenylboronicacid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

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

Technology Process of 4-Isopropylthiophenylboronic acid

There total 1 articles about 4-Isopropylthiophenylboronic 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: 90.0%

1-bromo-4-(1-methylethylthio)benzene (70398-89-9) → [4-(propan-2-ylsulfanyl)phenyl]boronic acid (380427-38-3)

Guidance literature:

1-bromo-4-(1-methylethylthio)benzene; 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: 98.0%

[4-(propan-2-ylsulfanyl)phenyl]boronic acid (380427-38-3) + 3-bromo-6-(6-methylpyridin-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile (1611001-38-7) → 3-(4-(isopropylthio)phenyl)-6-(6-methylpyridin-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile (1611000-03-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In water; N,N-dimethyl-formamide; at 120 ℃; for 2h; Inert atmosphere;

Reference yield: 95.0%

trifluoromethanesulfonic acid 6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl ester (648904-46-5) + [4-(propan-2-ylsulfanyl)phenyl]boronic acid (380427-38-3) → 1-(2-{4-[2-(4-isopropylsulfanyl-phenyl)-6-methoxy-naphthalen-1-yloxy]-phenoxy}-ethyl)-piperidine (648905-27-5)

Guidance literature:

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

palladium diacetate; tricyclohexylphosphine; In acetonitrile; at 90 ℃; for 0.333333h;

upstream raw materials:

1-bromo-4-(1-methylethylthio)benzene

Downstream raw materials:

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

4-(4-(isopropylthio)phenyl)thiophene-2-carboxylic acid

ethyl 2-(3-(4-((4'-(isopropylthio)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)oxetan-3-yl)acetate

3-(4-(isopropylthio)phenyl)-6-(5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-a]pyridine