ACETYLUREA

Base Information

• Chemical Name: ACETYLUREA
• CAS No.: 591-07-1
• Molecular Formula: C3H6N2O2
• Molecular Weight: 102.093
• Hs Code.: 2924210090
• European Community (EC) Number: 209-698-3
• NSC Number: 2766
• UNII: 8KRU31I919
• DSSTox Substance ID: DTXSID9060445
• Nikkaji Number: J2.687E
• Wikidata: Q27270682
• Mol file: 591-07-1.mol

Synonyms:Urea,acetyl- (6CI,7CI,8CI);1-Acetylurea;Acetic acid, ureide;Acetylcarbamide;Acetylurea;Monoacetylurea;N-Acetylurea;NSC 2766;

Chemical Property of ACETYLUREA

Chemical Property:

• Melting Point: 216-218 °C
• Refractive Index: 1.458
• Boiling Point: 191.38°C (rough estimate)
• PKA: 13.00±0.70(Predicted)
• PSA: 72.19000
• Density: 1.204 g/cm³
• LogP: 0.29240
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Sparingly, Sonicated), Methanol (Slightly, Sonicated), Water (Slightly)
• Water Solubility.: 13g/L(15 oC)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.042927438
• Heavy Atom Count: 7
• Complexity: 99.1

Purity/Quality:

98% ^*data from raw suppliers

Acetylurea >99.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(=O)N
• Uses: Acetylurea is used in the preparation Multiple urea derivative compounds which includes glycogen phosphorylase inhibitors

Technology Process of ACETYLUREA

There total 50 articles about ACETYLUREA 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: 94.0%

acetylthiourea (591-08-2) → acetylurea (591-07-1) + 2,6-dichlorophenylisothiocyanate (6590-95-0)

Guidance literature:

With 2,6-dichlorobenzohydroximoyl chloride; triethylamine; In tetrahydrofuran; for 0.166667h; Ambient temperature;

DOI:10.1080/00397919808007019

Reference yield: 85.0%

urea (57-13-6) + 1-phenylbutan-1,3-dione (93-91-4) → acetylurea (591-07-1)

Guidance literature:

With zinc(II) chloride; In chlorobenzene; for 48h; Reflux;

Reference yield: 85.0%

acetyl iodide (507-02-8) + urea (57-13-6) → acetylurea (591-07-1)

Guidance literature:

at 55 - 60 ℃; for 2h;

DOI:10.1134/S1070428009040022

upstream raw materials:

acetamide

ethyl acetylcarbamate

acetyl isocyanate

acetic anhydride

Downstream raw materials:

6-methyl-1,3,5-triazine-2,4(1H,3H)-dione

N-acetyl-N'-benzhydryl-urea

acide 5,5-diethyl-4-iminobarbiturique

N-acetyl-N'-(2,5-dimethyl-phenyl)-urea

Refernces

• 1、 -. "Preparation method of 4-halobutyl acetate". Paragraph 0054-0062; 0068-0069; 0072. . Retrieved 2018/09/20.
• 2、 Chipiso, Kudzanai,Mbiya, Wilbes,Tran, Thai,Simoyi, Reuben H.. "Oxyhalogen-sulfur chemistry: Kinetics and mechanism of oxidation of N-acetylthiourea by aqueous bromate and acidified bromate". . p. 27 - 34. Retrieved 2016/03/30.