2,4-Imidazolidinedione, 3-(2-hydroxyethyl)-5,5-dimethyl-

Base Information

• Chemical Name: 2,4-Imidazolidinedione, 3-(2-hydroxyethyl)-5,5-dimethyl-
• CAS No.: 29071-93-0
• Molecular Formula: C7H12 N2 O3
• Molecular Weight: 172.184
• European Community (EC) Number: 249-411-9
• NSC Number: 247560
• UNII: E05IU87F8X
• DSSTox Substance ID: DTXSID4067434
• Nikkaji Number: J108.960I
• Wikidata: Q81994026
• ChEMBL ID: CHEMBL4455405
• Mol file: 29071-93-0.mol

Synonyms:29071-93-0;3-(2-Hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;2,4-Imidazolidinedione, 3-(2-hydroxyethyl)-5,5-dimethyl-;Hydroxyethyl dimethylhydantoin;3-(2-Hydroxyethyl)-5,5-dimethylhydantoin;Hydantoin, 3-(2-hydroxyethyl)-5,5-dimethyl-;E05IU87F8X;EINECS 249-411-9;NSC 247560;NSC-247560;NSC247560;UNII-E05IU87F8X;SCHEMBL9809600;CHEMBL4455405;DTXSID4067434;STK722075;3-hydroxyethyl-5,5-dimethyl-hydantoin;AKOS005524005;2, 3-(2-hydroxyethyl)-5,5-dimethyl-;3-(HYDROXYETHYL)-5,5-DIMETHYLHYDANTOIN;EN300-159945;3-(2-Hydroxyethyl)-5,5-dimethyl-2,4-imidazolidinedione;Z149202356;3-(2-Hydroxyethyl)-5,5-dimethyl-2,4-imidazolidinedione #

Chemical Property of 2,4-Imidazolidinedione, 3-(2-hydroxyethyl)-5,5-dimethyl-

Chemical Property:

• Melting Point: 53-55 °C
• Boiling Point: 155 °C(Press: 0.8 Torr)
• PKA: 8.51±0.70(Predicted)
• PSA: 69.64000
• Density: 1.209g/cm³
• LogP: -0.42420
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.08479225
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

3-(2-HYDROXYETHYL)-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)N(C(=O)N1)CCO)C

Technology Process of 2,4-Imidazolidinedione, 3-(2-hydroxyethyl)-5,5-dimethyl-

There total 2 articles about 2,4-Imidazolidinedione, 3-(2-hydroxyethyl)-5,5-dimethyl- 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: 84.5%

5,5-dimethyl-imidazolidine-2,4-dione (77-71-4) + 2-bromoethanol (540-51-2) → 3-(2-hydroxypropyl)-5,5-dimethylhydantoin (29071-93-0)

Guidance literature:

5,5-dimethyl-imidazolidine-2,4-dione; With potassium carbonate; In acetone; for 0.5h; Reflux;

2-bromoethanol; In acetone; for 6h; Reflux;

DOI:10.1016/j.bmcl.2018.10.034

Reference yield:

→ 3-(2-hydroxypropyl)-5,5-dimethylhydantoin (29071-93-0)

Guidance literature:

Hydantoin 1b, 2-Chlorethanol;

DOI:10.1002/jhet.5570140332

Reference yield:

3-(2-hydroxypropyl)-5,5-dimethylhydantoin (29071-93-0) → 3-(2'-chloroethyl)-5, 5-dimethylhydantoin (53066-53-8)

Guidance literature:

With phosphorus trichloride; In tetrahydrofuran; at 75 ℃; for 5h; Cooling with ice;

upstream raw materials:

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

2-bromoethanol

Downstream raw materials:

3-(2'-chloroethyl)-5, 5-dimethylhydantoin

Refernces

• 1、 -. "Bifunctional bactericide containing double bond, quaternary ammonium salt and halamine, and preparation method and application thereof". Paragraph 0046. . Retrieved 2017/02/28.