4-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)benzenesulfonamide
• CAS No.: 796061-08-0
• Molecular Formula: C19H24 B N O4 S
• Molecular Weight: 373.281
• Hs Code.: 2935009090
• European Community (EC) Number: 687-808-2
• DSSTox Substance ID: DTXSID40584516
• Wikidata: Q82476185
• Mol file: 796061-08-0.mol

Synonyms:796061-08-0;3-(TOLUENE-4-SULFONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER;4-METHYL-N-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)BENZENESULFONAMIDE;3-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester;3-(P-TOLUENESULFONYLAMINO)BENZENEBORONIC ACID PINACOL ESTER;4-Methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;3-(Toluene-4-sulfonylamino)phenylboronic acid pinacol ester;SCHEMBL1619904;DTXSID40584516;RGAZOXRZFCGICF-UHFFFAOYSA-N;WGB06108;AKOS015960193;AB21970;CS-W000968;AS-46740;F10343;A864839;3-(p-Toluenesulfonylamino)benzeneboronicacid pinacol ester;3-(P-TOLUENESULFONYLAMINO)BENZENEBORONICACIDPINACOLESTER;3-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester, 97%;4-Methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1-sulfonamide

Chemical Property of 4-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 159-163°C
• Refractive Index: 1.574
• Boiling Point: 509.024°C at 760 mmHg
• Flash Point: 261.648°C
• PSA: 73.01000
• Density: 1.216g/cm³
• LogP: 4.24880
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 373.1519096
• Heavy Atom Count: 26
• Complexity: 577

Purity/Quality:

99% ^*data from raw suppliers

3-(p-Toluenesulfonylamino)phenylboronic acid, pinacol ester 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Technology Process of 4-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)benzenesulfonamide

There total 1 articles about 4-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)benzenesulfonamide 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: 28.0%

p-toluenesulfonyl chloride (98-59-9) + 3-aminophenylboronic acid pinacolate (210907-84-9) → 4-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide (796061-08-0)

Guidance literature:

In dichloromethane; for 18h; Heating;

DOI:10.1002/hc.20025

Reference yield: 74.0%

N-(3-(5-chloro-6-oxo-1-(1-phenylethyl)-1,6-dihydropyridazin-4-yl)phenyl)-4-methylbenzenesulfonamide (1383674-72-3) + 4-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide (796061-08-0) → N,N'-(3,3'-(6-oxo-1-(1-phenylethyl)-1,6-dihydropyridazine-4,5-diyl)bis(3,1-phenylene))bis(4-methylbenzenesulfonamide)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 80 ℃; Reflux;

Reference yield:

N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)acetamide (947248-51-3) + 4-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide (796061-08-0) → N-(6-(3-(4-methylphenylsulfonamido)phenyl)imidazo[1,2-b]pyridazin-2-yl)acetamide (1162680-00-3)

Guidance literature:

With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride; In water; N,N-dimethyl-formamide; at 100 ℃; for 2h;

upstream raw materials:

p-toluenesulfonyl chloride

3-aminophenylboronic acid pinacolate

Downstream raw materials:

N-(6-(3-(4-methylphenylsulfonamido)phenyl)imidazo[1,2-b]pyridazin-2-yl)acetamide

Refernces