1-Aminoimidazolidine-2,4-dione

Base Information

• Chemical Name: 1-Aminoimidazolidine-2,4-dione
• CAS No.: 6301-02-6
• Molecular Formula: C3H5N3O2
• Molecular Weight: 115.092
• Hs Code.: 2933990090
• European Community (EC) Number: 228-593-3
• NSC Number: 44144
• UNII: B0ZQ4HR43J
• DSSTox Substance ID: DTXSID40212226
• Nikkaji Number: J206.877J
• Wikidata: Q83087274
• ChEMBL ID: CHEMBL4756680
• Mol file: 6301-02-6.mol

Synonyms:1-aminohydantoin;AHD compound

Chemical Property of 1-Aminoimidazolidine-2,4-dione

Chemical Property:

• Melting Point: 195-196 °C
• Refractive Index: 1.556
• PKA: 7.88±0.10(Predicted)
• PSA: 75.43000
• Density: 1.506 g/cm³
• LogP: -0.62110
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 115.038176411
• Heavy Atom Count: 8
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

1-Amino-imidazolidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC(=O)N1N

Technology Process of 1-Aminoimidazolidine-2,4-dione

There total 4 articles about 1-Aminoimidazolidine-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:

Nitrofurantoin (67-20-9) → 1-aminohydantoin (6301-02-6)

Guidance literature:

With cytochrome P₄₅₀ monooxygenase; at 37 ℃; for 0.5h;

DOI:10.3109/10715762.2013.836695

Reference yield:

2-semicarbazide acetic acid (138-07-8) → 1-aminohydantoin (6301-02-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

potassium cyanate (590-28-3) + 2-hydrazinyl acetic acid ethyl ester hydrochloride (6945-92-2) → 1-aminohydantoin (6301-02-6)

Guidance literature:

With water; Behandeln des Reaktionsprodukts mit verd. Schwefelsaeure;

upstream raw materials:

2-semicarbazide acetic acid

potassium cyanate

2-hydrazinyl acetic acid ethyl ester hydrochloride

Nitrofurantoin

Downstream raw materials:

1-(4-ethanesulfonyl-benzylidenamino)-imidazolidine-2,4-dione

Nitrofurantoin

1-(4-nitro-benzylideneamino)-imidazolidine-2,4-dione

1-(4-methoxy-benzylideneamino)-imidazolidine-2,4-dione

Refernces

• 1、 Aracena,Lazo-Hernandez,Molina-Berrios,Sepulveda,Reinoso,Larrain,Navarro,Letelier. "Microsomal oxidative stress induced by NADPH is inhibited by nitrofurantoin redox biotranformation". . p. 129 - 136. Retrieved 2014/01/06.