4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide hydrochloride

Base Information

• Chemical Name: 4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide hydrochloride
• CAS No.: 160822-47-9
• Molecular Formula: C12H14ClN3O2S
• Molecular Weight: 299.781
• European Community (EC) Number: 605-230-0
• DSSTox Substance ID: DTXSID60695739
• Mol file: 160822-47-9.mol

Synonyms:160822-47-9;4-[(3-METHYLPHENYL)AMINO]-3-PYRIDINESULFONAMIDE HYDROCHLORIDE;4-(3-methylanilino)pyridine-3-sulfonamide;hydrochloride;3-Pyridinesulfonamide, 4-[(3-methylphenyl)amino]-, hydrochloride (1:1);SCHEMBL4827253;DTXSID60695739;AKOS027447314;FT-0672069;4-(3-Methylanilino)pyridine-3-sulfonamide--hydrogen chloride (1/1)

Chemical Property of 4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide hydrochloride

Chemical Property:

• PSA: 80.57000
• LogP: 5.04210
• Solubility.: DMSO
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 299.0495256
• Heavy Atom Count: 19
• Complexity: 366

Purity/Quality:

97% ^*data from raw suppliers

4-[(3-Methylphenyl)amino]-3-pyridinesulfonamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N.Cl
• Uses: 4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide Hydrochloride (cas# 160822-47-9) is a compound useful in organic synthesis.

Technology Process of 4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide hydrochloride

There total 1 articles about 4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide hydrochloride 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: 98.0%

4-chloropyridine-3-sulphonamide (33263-43-3) + 1-amino-3-methylbenzene (108-44-1) → 4-[(3-methylphenyl)amino]-3-pyridinesulfonamide hydrochloride (160822-47-9)

Guidance literature:

In butan-1-ol; for 2 - 4h; Heating / reflux;

Reference yield: 89.0%

4-[(3-methylphenyl)amino]-3-pyridinesulfonamide hydrochloride (160822-47-9) + Isopropyl isocyanate (1795-48-8) → torasemide (56211-40-6)

Guidance literature:

With sodium carbonate; In acetone; for 8 - 20h; Product distribution / selectivity; Heating / reflux;

Reference yield:

4-[(3-methylphenyl)amino]-3-pyridinesulfonamide hydrochloride (160822-47-9) + phenyl N-isopropylcarbamate (17614-10-7) → torsemide lithium

Guidance literature:

4-[(3-methylphenyl)amino]-3-pyridinesulfonamide hydrochloride; With lithium hydroxide; In water; at 25 - 35 ℃;

phenyl N-isopropylcarbamate; In water; acetone; at 45 - 75 ℃; for 18.5h; Product distribution / selectivity;

upstream raw materials:

4-chloropyridine-3-sulphonamide

1-amino-3-methylbenzene

Downstream raw materials:

torasemide

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