Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-YL)-

Base Information

• Chemical Name: Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-YL)-
• CAS No.: 20195-20-4
• Molecular Formula: C14H19NO3
• Molecular Weight: 249.3056
• DSSTox Substance ID: DTXSID80174031
• Wikidata: Q83044084
• Mol file: 20195-20-4.mol

Synonyms:U 2556;ACETOPHENONE, 3',4'-DIHYDROXY-2-(HEXAHYDRO-1H-AZEPIN-1-YL)-;BRN 0201053;3',4'-Dihydroxy-2-(hexahydro-1H-azepin-1-yl)acetophenone;Ethanone, 1-(3,4-dihydroxyphenyl)-2-(hexahydro-1H-azepin-1-yl)-;4-20-00-01423 (Beilstein Handbook Reference);DTXSID80174031;AKOS008964114

Chemical Property of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-YL)-

Chemical Property:

• Vapor Pressure: 4.1E-09mmHg at 25°C
• Boiling Point: 460.8°Cat760mmHg
• Flash Point: 232.5°C
• Density: 1.192g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CC(=O)C2=CC(=C(C=C2)O)O

Technology Process of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-YL)-

There total 1 articles about Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-YL)- 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:

hexamethylene imine (111-49-9) + 2-chloro-3',4'-dihydroxyacetophenone (99-40-1) → 1-(3,4-dihydroxy-phenyl)-2-hexahydroazepin-1-yl-ethanone (20195-20-4)

Guidance literature:

With ethanol; sodium carbonate;

upstream raw materials:

hexamethylene imine

2-chloro-3',4'-dihydroxyacetophenone