1-Propylimidazolidine-2,4-dione

Base Information

• Chemical Name: 1-Propylimidazolidine-2,4-dione
• CAS No.: 85391-24-8
• Molecular Formula: C6H10N2O2
• Molecular Weight: 142.158
• Hs Code.: 2933990090
• European Community (EC) Number: 286-777-9
• DSSTox Substance ID: DTXSID30234558
• Nikkaji Number: J310.334J
• Wikidata: Q83116362
• Mol file: 85391-24-8.mol

Synonyms:1-Propylimidazolidine-2,4-dione;85391-24-8;EINECS 286-777-9;propyl hydantoin;1-propylhydantoin;SCHEMBL193400;DTXSID30234558;AKOS011092463

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

Chemical Property:

• Melting Point: 124-127 °C
• Boiling Point: °Cat760mmHg
• PKA: 8.94±0.10(Predicted)
• Flash Point: °C
• PSA: 52.90000
• Density: 1.156g/cm³
• LogP: 0.16200
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.074227566
• Heavy Atom Count: 10
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CC(=O)NC1=O

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

There total 2 articles about 1-Propylimidazolidine-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: 80.0%

methyl N-cyano-N-n-propylaminoacetate (1034186-44-1) → 1-n-propylhydantoin (85391-24-8)

Guidance literature:

With sulfuric acid; In diethyl ether; water; at 0 - 20 ℃; for 7.5h;

DOI:10.1002/ejoc.200701025

Reference yield: 55.0%

Glyoxal (131543-46-9,107-22-2) + n-propylurea (627-06-5) → 2,6-dipropyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione + 2,8-dipropyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione + 1-n-propylhydantoin (85391-24-8)

Guidance literature:

With hydrogenchloride; In water; at 80 - 90 ℃; for 1h; pH=1;

DOI:10.1007/s11172-005-0307-3

Reference yield:

(2R,4R)-4-Hydroxy-1-[4-(2-methoxy-ethoxy)-benzenesulfonyl]-pyrrolidine-2-carboxylic acid methyl ester (204072-54-8) + 1-n-propylhydantoin (85391-24-8) → (2R,4S)-4-(2,5-Dioxo-3-propyl-imidazolidin-1-yl)-1-[4-(2-methoxy-ethoxy)-benzenesulfonyl]-pyrrolidine-2-carboxylic acid methyl ester (1053698-38-6)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/jm000246e

upstream raw materials:

Glyoxal

n-propylurea

methyl N-cyano-N-n-propylaminoacetate

Downstream raw materials:

(2R,4S)-4-(2,5-Dioxo-3-propyl-imidazolidin-1-yl)-1-[4-(2-methoxy-ethoxy)-benzenesulfonyl]-pyrrolidine-2-carboxylic acid methyl ester

(2R,4S)-1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl-imidazolidin-1-yl)-pyrrolidine-2-carboxylic acid methyl ester

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