1,5,5-Trimethylhydantoin

• CAS: 6851-81-6
• Catalog Number: ACM6851816
• Category: Imidazoles
• Molecular Weight: 142.16
• Molecular Formula: C6H10N2O2
• Synonyms: Trimethylhydantoin
• IUPAC Name: 1,5,5-Trimethylimidazolidine-2,4-dione
• Canonical SMILES: CC1(C(=O)NC(=O)N1C)C
• InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
• InChI Key: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
• Boiling Point: 259.72 °C
• Melting Point: 161-164 °C(lit.)
• Density: 1.2298 g/cm³
• Solubility: Soluble in dimethylformamide
• Appearance: Powder to crystal
• Storage: Inert atmosphere, room temperature
• Complexity: 198
• Exact Mass: 142.074227566
• Monoisotopic Mass: 142.074227566
• pKa: 8.99±0.10(Predicted)
• Refractive Index: 1.501
• Topological Polar Surface Area: 49.4 Ų

Synthetic Use

Upstream Synthesis Route 1

• 6345-19-3
• 102617-77-6

• 6851-81-6
• 102617-83-4

Reference: [1]Journal of Heterocyclic Chemistry,1985,vol. 22,p. 1025 - 1028

Downstream Synthesis Route 1

• 6851-81-6
• 50-00-0

• 159135-61-2

Reference: [1]Location in patent: experimental part
Pesquet, Anthony; Van Hijfte, Luc; Daich, Adam
[ARKIVOC, 2010, vol. 2010, # 8, p. 27 - 40]
[2]Hilpert, Hans
[Tetrahedron, 2001, vol. 57, # 36, p. 7675 - 7683]
[3]McClure, Kim F.; Axt, Matthew Z.
[Bioorganic and Medicinal Chemistry Letters, 1998, vol. 8, # 2, p. 143 - 146]

* For details of the synthesis route, please refer to the original source to ensure accuracy.