Pyrolan

Base Information

• Chemical Name: Pyrolan
• CAS No.: 87-47-8
• Molecular Formula: C13H15 N3 O2
• Molecular Weight: 245.281
• NSC Number: 404297
• UN Number: 2588
• UNII: 868K72C292
• DSSTox Substance ID: DTXSID6042361
• Nikkaji Number: J4.278A
• Wikidata: Q27269716
• ChEMBL ID: CHEMBL1610900
• Mol file: 87-47-8.mol

Synonyms:dimethyl 5-(3-methyl-1-phenyl-pyrazolyl)carbamate;pyrolan

Chemical Property of Pyrolan

Chemical Property:

• Appearance/Colour: crystalline solid
• Vapor Pressure: 9.97E-06mmHg at 25°C
• Melting Point: 50 C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 160 - 162 C at 0.2 mm Hg
• Flash Point: 178.7°C
• PSA: 47.36000
• Density: 1.15g/cm³
• LogP: 2.24110
• Water Solubility.: 1.996g/L(temperature not stated)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.116426730
• Heavy Atom Count: 18
• Complexity: 290
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

Pyrolan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by ingestion. Cholinesterase inhibitor.
• Hazard Codes: Toxic by ingestion. Cholinesterase inhibitor.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)OC(=O)N(C)C)C2=CC=CC=C2
• Uses: Insecticide. Pyrolan is the derivative of 3-?Methyl-?1-?phenyl-?2-?pyrazolin-?5-?one (E335000), which inhibits the disease activity in rheumatoid arthritis.

Technology Process of Pyrolan

There total 1 articles about Pyrolan 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:

3-methyl-1-phenylpyrazolin-5(4H)-one (19735-89-8) → 3-methyl-1-phenylpyrazol-5-yl dimethylcarbamate (87-47-8)

Guidance literature:

With potassium carbonate; benzene; anschliessend Behandeln mit Dimethylcarbamoylchlorid;

upstream raw materials:

3-methyl-1-phenylpyrazolin-5(4H)-one