5-Hydroxy-5-methylhydantoin

Base Information

• Chemical Name: 5-Hydroxy-5-methylhydantoin
• CAS No.: 10045-58-6
• Molecular Formula: C₄H₆N₂O₃
• Molecular Weight: 130.103
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50905511
• Nikkaji Number: J527.866J
• Mol file: 10045-58-6.mol

Synonyms:5-hydroxy-5-methylhydantoin

Chemical Property of 5-Hydroxy-5-methylhydantoin

Chemical Property:

• Melting Point: 166°C
• Boiling Point: °Cat760mmHg
• PKA: 8.30±0.10(Predicted)
• Flash Point: °C
• PSA: 78.43000
• Density: 1.458g/cm³
• LogP: -0.80810
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.03784206
• Heavy Atom Count: 9
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Hydroxy-5-methylhydantoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)NC(=O)N1)O
• Uses: 5-Hydroxy-5-methylhydantoin (cas# 10045-58-6) is a compound useful in organic synthesis.

Technology Process of 5-Hydroxy-5-methylhydantoin

There total 6 articles about 5-Hydroxy-5-methylhydantoin 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: 27.0%

2-oxo-propionic acid (127-17-3) + urea (57-13-6) → 5-hydroxy-5-methylhydantoin (10045-58-6)

Guidance literature:

In benzene; for 5h; Reflux;

DOI:10.1016/j.tet.2011.09.034

Reference yield: 27.0%

5,6-dimethyluracil (26305-13-5) → 1-acetyl-5-hydroxy-5-methylhydantoin (124443-49-8) + 5-hydroxy-5-methylhydantoin (10045-58-6)

Guidance literature:

With oxygen; ozone; In water; at 37 ℃; for 2h;

DOI:10.1246/cl.1999.723

Reference yield: 23.0%

thymin (65-71-4,28806-14-6,691841-57-3) → 1-formyl-5-hydroxy-5-methylhydantoin (77719-76-7) + 5-hydroxy-5-methylhydantoin (10045-58-6)

Guidance literature:

With oxygen; ozone; In water; at 37 ℃; for 1.5h;

DOI:10.1246/cl.1999.723

upstream raw materials:

5,6-dimethyluracil

Cytosine

thymin

1-formyl-5-hydroxy-5-methylhydantoin