1-(3'-Sulfophenyl)-3-Methyl-5-Pyrazolone

Base Information

• Chemical Name: 1-(3'-Sulfophenyl)-3-Methyl-5-Pyrazolone
• CAS No.: 119-17-5
• Molecular Formula: C10H10N2O4S
• Molecular Weight: 254.266
• Hs Code.: 2933199090
• UNII: 6761OLY7MK
• Nikkaji Number: J3.501.855G
• Mol file: 119-17-5.mol

Synonyms:1-(3'-Sulfophenyl)-3-Methyl-5-Pyrazolone;SCHEMBL393039;SCHEMBL5803930;AKOS015889793;1-(m-Sulfophenyl)-3-methylpyrazolon-(5);3-methyl-1-(3'-sulfophenyl)-5-pyrazolone;J3.501.855G;W-108527;3-(3-Methyl-5-hydroxy-1H-pyrazole-1-yl)benzenesulfonic acid;(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)BENZENESULFONIC ACID, M-;BENZENESULFONIC ACID, 3-(5-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)-

Chemical Property of 1-(3'-Sulfophenyl)-3-Methyl-5-Pyrazolone

Chemical Property:

• Vapor Pressure: 0.001Pa at 20℃
• Melting Point: 335 °C(lit.)
• PKA: -0.73±0.30(Predicted)
• PSA: 95.42000
• Density: 1.53 g/cm³
• LogP: 1.62730
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.03612798
• Heavy Atom Count: 17
• Complexity: 451

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O
• Uses: 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone [1-(3′-sulfophenyl)-3-methyl-5-pyrazolone] may be used to synthesize α-Pigment Yellow 191.

Technology Process of 1-(3'-Sulfophenyl)-3-Methyl-5-Pyrazolone

There total 1 articles about 1-(3'-Sulfophenyl)-3-Methyl-5-Pyrazolone 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:

→ 1-(3'-sulfophenyl)-3-methyl-5-pyrazolone (119-17-5)

Guidance literature:

m-Sulfophenylhydrazin, CH3-CO-CH2-CO2Et, NEt3;

Reference yield: 74.0%

1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylamine (1354703-76-6) + 1-(3'-sulfophenyl)-3-methyl-5-pyrazolone (119-17-5) → 3-[4-(1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylazo-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)]benzenesulfonic acid (1354704-02-1)

Guidance literature:

1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylamine; With hydrogenchloride; sodium nitrite; In water; at 0 - 70 ℃; for 1.5h;

1-(3'-sulfophenyl)-3-methyl-5-pyrazolone; With sodium carbonate; sodium hydroxide; In water; at 0 - 60 ℃; pH=8;

DOI:10.1007/s11164-011-0426-4

Reference yield: 61.0%

5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole (947-95-5) + guanidine hydrochloride (50-01-1) + 1-(3'-sulfophenyl)-3-methyl-5-pyrazolone (119-17-5) → 6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3-sulfophenyl)-4,5-dihydro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine (1057507-66-0)

Guidance literature:

In ethanol; at 20 ℃; for 8h; Reflux;

DOI:10.1002/ardp.200800027

Downstream raw materials:

6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3-sulfophenyl)-4,5-dihydro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

3-[4-(1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylazo-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)]benzenesulfonic acid