Diacetolol

Base Information

• Chemical Name: Diacetolol
• CAS No.: 22568-64-5
• Deprecated CAS: 28197-69-5
• Molecular Formula: C16H24N2O4
• Molecular Weight: 308.378
• Hs Code.: 2933599550
• European Community (EC) Number: 245-088-3
• UNII: 4ER0CZ5G7C
• DSSTox Substance ID: DTXSID70865421
• Nikkaji Number: J11.495B
• Wikipedia: Diacetolol
• Wikidata: Q5270217
• NCI Thesaurus Code: C166754
• ChEMBL ID: CHEMBL2110821
• Mol file: 22568-64-5.mol

Synonyms:acetyl acebutolol;diacetolol;diacetolol monohydrochloride;diacetolol, (+)-isomer;diacetolol, (+-)-isomer;diacetolol, monohydrochloride, (+-)-isomer;M and B 16,942;RS-1-(4-acetamido-2-acetylphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride

Chemical Property of Diacetolol

Chemical Property:

• Vapor Pressure: 7.08E-13mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 548.8 °C at 760 mmHg
• Flash Point: 285.7 °C
• PSA: 91.15000
• Density: 1.152 g/cm³
• LogP: 2.62570
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Very Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 308.17360725
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

racDiacetolol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
• Uses: The principal metabolite of Acebutolol (A123800) with less β-adrenoceptor blocking potency but greater cardioselectivity (atrial relative to tracheal tissue). The principal metabolite of Acebutolol (A123800) with less β-adrenoceptor blocking potency but greater cardioselectivity (atrial relative to tracheal tissue. Acebutolol EP Impurity B.

Technology Process of Diacetolol

There total 1 articles about Diacetolol 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:

→ Diacetolol (22568-64-5,87833-60-1,28197-69-5)

Guidance literature:

DOI:10.1021/jm00225a012