Diaminomethylidene-(4-methylphenyl)sulfonylazanium

Base Information

• Chemical Name: Diaminomethylidene-(4-methylphenyl)sulfonylazanium
• CAS No.: 6584-12-9
• Molecular Formula: C8H12N3O2S+
• Molecular Weight: 213.26
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00427677
• Mol file: 6584-12-9.mol

Synonyms:diaminomethylidene-(4-methylphenyl)sulfonylazanium;DTXSID00427677

Chemical Property of Diaminomethylidene-(4-methylphenyl)sulfonylazanium

Chemical Property:

• Vapor Pressure: 4.17E-07mmHg at 25°C
• Boiling Point: 415.3°Cat760mmHg
• Flash Point: 205°C
• PSA: 104.42000
• Density: 1.41g/cm³
• LogP: 2.43850
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.06502281
• Heavy Atom Count: 14
• Complexity: 306

Purity/Quality:

99%, ^*data from raw suppliers

N-[Amino(imino)methyl]-4-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[NH+]=C(N)N

Technology Process of Diaminomethylidene-(4-methylphenyl)sulfonylazanium

There total 9 articles about Diaminomethylidene-(4-methylphenyl)sulfonylazanium 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: 65.0%

guanidine hydrochloride (50-01-1) + p-toluenesulfonyl chloride (98-59-9) → N-(diaminomethylidene)-4-toluenesulfonamide (6584-12-9)

Guidance literature:

guanidine hydrochloride; With sodium hydroxide; at 40 ℃; for 0.166667h;

p-toluenesulfonyl chloride; In sodium hydroxide; acetone; at 0 ℃; for 0.5h;

DOI:10.1081/SCC-120017128

Reference yield:

N-azidocarboximidoyl-toluene-4-sulfonamide (51970-79-7) → N-(4-Toluenesulfonyl)guanidine (6584-12-9)

Guidance literature:

With hydrogen; platinum(IV) oxide;

Reference yield:

toluene-4-sulfonic acid (104-15-4) → N-(4-Toluenesulfonyl)guanidine (6584-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: H₂ / PtO₂

With pyridine; hydrogen; platinum(IV) oxide;

upstream raw materials:

guanidine nitrate

p-toluenesulfonyl chloride

N-azidocarboximidoyl-toluene-4-sulfonamide

diguanidine carbonate

Downstream raw materials:

N-phenyl-N'-[(toluene-4-sulfonyl)-carbamimidoyl]-urea

N,N'-bis-phenylcarbamoyl-N''-(toluene-4-sulfonyl)-guanidine

N-(toluene-4-sulfonylcarbamimidoyl)-thioacetamide

N-(5-methyl-[1,2,4]thiadiazol-3-yl)-toluene-4-sulfonamide

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