5-Hydroxydantrolene

Base Information

• Chemical Name: 5-Hydroxydantrolene
• CAS No.: 52130-25-3
• Molecular Formula: C₁₄H₁₀N₄O₆
• Molecular Weight: 330.257
• UNII: Y9S8199RFW
• ChEMBL ID: CHEMBL3276937
• Mol file: 52130-25-3.mol

Synonyms:5-hydroxydantrolene

Chemical Property of 5-Hydroxydantrolene

Chemical Property:

• Melting Point: 238-240oC dec.
• Boiling Point: °Cat760mmHg
• PKA: 7.08±0.10(Predicted)
• Flash Point: °C
• PSA: 140.96000
• Density: 1.68 g/cm³
• LogP: 1.84880
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 330.06003405
• Heavy Atom Count: 24
• Complexity: 554

Purity/Quality:

98% ^*data from raw suppliers

5-Hydroxydantrolene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=NN3C(C(=O)NC3=O)O)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-]
• Uses: A metabolite of Dantrolene that has shown to have muscle relaxant effects A metabolite of Dantrolene (D185000) that has shown to have muscle relaxant effects.

Technology Process of 5-Hydroxydantrolene

There total 1 articles about 5-Hydroxydantrolene 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:

→ 5-hydroxy-1-[5-(4-nitro-phenyl)-furan-2-ylmethyleneamino]-imidazolidine-2,4-dione (52130-25-3)

Guidance literature:

Parabansaeure (V), katalytische Hydrierung;

DOI:10.1002/jps.2600650133