Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate

Base Information

• Chemical Name: Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate
• CAS No.: 91857-52-2
• Molecular Formula: C₁₂H₁₅N₃*H₂O₄S
• Molecular Weight: 299.351
• DSSTox Substance ID: DTXSID70238717
• Mol file: 91857-52-2.mol

Synonyms:Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate;4-(Dimethylamino)-1-methyl-5-phenylpyrazole sulfate;1H-Pyrazol-4-amine, 5-phenyl-N,N,1-trimethyl-, sulfate (1:1);91857-52-2;C12H15N3.H2O4S;DTXSID70238717;LS-128470

Chemical Property of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Boiling Point: 334.8°Cat760mmHg
• Flash Point: 156.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 299.09397721
• Heavy Atom Count: 20
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C=N1)N(C)C)C2=CC=CC=C2.OS(=O)(=O)O

Technology Process of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate

There total 2 articles about Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate 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:

4-Dimethylamino-5-phenyl-1H-pyrazole-3-carboxylic acid (91857-83-9) → Dimethyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-amine; compound with sulfuric acid (91857-52-2)

Guidance literature:

In solid; at 200 ℃; for 0.666667h;

Reference yield:

ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate (91857-68-0) → Dimethyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-amine; compound with sulfuric acid (91857-52-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. 10percent sodium hydroxide / methanol / 3 h / Heating

2: solid / 0.67 h / 200 °C

With sodium hydroxide; In methanol;

upstream raw materials:

4-Dimethylamino-5-phenyl-1H-pyrazole-3-carboxylic acid

ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate