1,5,5-Trimethylimidazolidine-2,4-dione

Base Information

• Chemical Name: 1,5,5-Trimethylimidazolidine-2,4-dione
• CAS No.: 6851-81-6
• Molecular Formula: C6H10 N2 O2
• Molecular Weight: 142.158
• Hs Code.: 2933990090
• European Community (EC) Number: 229-945-9
• DSSTox Substance ID: DTXSID40218642
• Nikkaji Number: J101.269J
• Wikidata: Q27456405
• Mol file: 6851-81-6.mol

Synonyms:1,5,5-Trimethylhydantoin;6851-81-6;1,5,5-Trimethylimidazolidine-2,4-dione;Hydantoin, 1,5,5-trimethyl-;EINECS 229-945-9;2,4-Imidazolidinedione, 1,5,5-trimethyl-;MFCD00040439;3,4,4-Trimethyl-2,5-dioxoimidazolidine;1,5,5-trimethyl-imidazolidine-2,4-dione;1,5,5 trimethylhydantoin;1,5,5-trimethyl-hydantoin;1,5,5-trimethyl- hydantoin;SCHEMBL162703;1-methyl-5,5-dimethyl hydantoin;DTXSID40218642;1,5,5-Trimethylhydantoin, 98%;HMS1720F02;s6175;AKOS001037493;CS-W013322;HR-0312;HY-W012606;3,4,4-trimethyl-2,5-dioxoimidazoline;1,5,5-Trimethyl-2,4-imidazolidinedione #;LC-tDDA;CE10;FT-0606935;T1739;EN300-17732;D92516;A836170;W-104663;Q27456405;Z57000584;6HQ

Chemical Property of 1,5,5-Trimethylimidazolidine-2,4-dione

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder.
• Melting Point: 161 - 164 ºC
• Refractive Index: 1.5010 (estimate)
• Boiling Point: 259.72°C (rough estimate)
• PKA: 8.99±0.10(Predicted)
• PSA: 49.41000
• Density: 1.117 g/cm³
• LogP: 0.21330
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Dimethylformamide
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.074227566
• Heavy Atom Count: 10
• Complexity: 198

Purity/Quality:

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

1,5,5-Trimethylhydantoin >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(=O)NC(=O)N1C)C
• Uses: 1,5,5-Trimethylhydantoin (1,5,5-Trimethyl-imidazolidine-2,4-dione) may be used to synthesize 3-bromomethyl-1,5,5-trimethylimidazolid-ine-2,4-dione.

Technology Process of 1,5,5-Trimethylimidazolidine-2,4-dione

There total 7 articles about 1,5,5-Trimethylimidazolidine-2,4-dione 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: 29.6%

5,5-Dimethyl-3-<(morpholin-4-yl)methyl>imidazolidin-2,4-dion (951-13-3) + methyl iodide (74-88-4) → 1,5,5-trimethylhydantoin (6851-81-6)

Guidance literature:

With sodium hydroxide; sodium hydride; In N,N-dimethyl-formamide; 1.) DMF;

DOI:10.1002/hlca.19920750425

Reference yield:

5,5-dimethyl-imidazolidine-2,4-dione (77-71-4) → 1,5,5-trimethylhydantoin (6851-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / molecular sieves (4 Angstroem) / dimethylformamide / 15 h / Ambient temperature

2: 29.6 percent / 1.) NaH, 2.) 3 n NaOH / dimethylformamide / 1.) DMF

With sodium hydroxide; 4 A molecular sieve; sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1002/hlca.19920750425

Reference yield:

N-(1-cyano-1-methyl-ethyl)-N-methyl-urea → 1,5,5-trimethylhydantoin (6851-81-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

5-ethyl-3,5-dimethyl-imidazolidine-2,4-dione

3,4,4-Trimethyl-2,5-dioxo-imidazolidine-1-carbonitrile

3,5,5-trimethyl-2,4-imidazolidinedione

5,5-Dimethyl-3-<(morpholin-4-yl)methyl>imidazolidin-2,4-dion

Downstream raw materials:

3,4,4-Trimethyl-2,5-dioxo-imidazolidine-1-carbonitrile

3-[3-(biphenyl-4-yloxymethyl)-pent-4-enyl]-1,5,5-trimethyl-imidazolidine-2,4-dione

(+/-)-1-(3-((4'-cyano-(1,1'-biphenyl)-4-yl)oxy)-propan-2-on-1-yl)-3,4,4-trimethyl-2,5-dioxoimidazolidine

4'-[2-hydroxyamino-3-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-yl)-propoxy]-biphenyl-4-carbonitrile