ACETYLBROMODIETHYLACETYLCARBAMIDE

Base Information

• Chemical Name: ACETYLBROMODIETHYLACETYLCARBAMIDE
• CAS No.: 77-66-7
• Molecular Formula: C9H15 Br N2 O3
• Molecular Weight: 279.134
• European Community (EC) Number: 201-047-1
• UNII: E47C56IGOY
• DSSTox Substance ID: DTXSID9058810
• Nikkaji Number: J4.211K
• Wikipedia: Acecarbromal
• Wikidata: Q1113346
• NCI Thesaurus Code: C76932
• ChEMBL ID: CHEMBL2104673
• Mol file: 77-66-7.mol

Synonyms:Urea,1-acetyl-3-(2-bromo-2-ethylbutyryl)- (6CI,7CI,8CI); 1-Acetyl-3-(a-bromo-a-ethylbutyryl)urea; 1-Acetyl-3-(a-ethyl-a-bromobutyryl)urea; Abasin;Absin; Acecarbromal; Acetcarbromal; Acetyl Adalin; Acetylcarbromal; Adityl;Carbased; Darolon; N-Acetyl-N'-diethylbromoacetylurea; N-Acetyl-N'-a-bromo-a-ethylbutyrylcarbamide; Sedamyl

Chemical Property of ACETYLBROMODIETHYLACETYLCARBAMIDE

Chemical Property:

• Melting Point: 108-109°
• Refractive Index: 1.5190 (estimate)
• PSA: 75.27000
• Density: 1.4g/cm³
• LogP: 2.09420
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 278.02660
• Heavy Atom Count: 15
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

1-ACETYL-3-(BROMO-2-ETHYLBUTYRYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C(=O)NC(=O)NC(=O)C)Br
• Therapeutic Function: Sedative, Hypnotic

Technology Process of ACETYLBROMODIETHYLACETYLCARBAMIDE

There total 3 articles about ACETYLBROMODIETHYLACETYLCARBAMIDE 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:

carbromal (77-65-6) + acetic anhydride (108-24-7) → acetylcarbromal (77-66-7)

Guidance literature:

With zinc(II) chloride;

Reference yield:

acetyl isocyanate (3998-25-2) → acetylcarbromal (77-66-7)

Guidance literature:

Reference yield:

acetamide (60-35-5) + 2-ethyl-2-bromo-butyryl isocyanate → acetylcarbromal (77-66-7)

Guidance literature:

upstream raw materials:

acetamide

carbromal

acetic anhydride

acetyl isocyanate