1-Propanone, 3-(dimethylamino)-1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)-, hydrochloride

Base Information

• Chemical Name: 1-Propanone, 3-(dimethylamino)-1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)-, hydrochloride
• CAS No.: 132391-59-4
• Molecular Formula: C16H24ClNO3
• Molecular Weight: 313.8197
• DSSTox Substance ID: DTXSID90157517

Synonyms:1-Propanone, 3-(dimethylamino)-1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)-, hydrochloride;132391-59-4;DTXSID90157517;LS-122937

Chemical Property of 1-Propanone, 3-(dimethylamino)-1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)-, hydrochloride

Chemical Property:

• Vapor Pressure: 3.07E-07mmHg at 25°C
• Boiling Point: 419.3°Cat760mmHg
• Flash Point: 207.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 313.1444713
• Heavy Atom Count: 21
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(=O)C1=CC2=C(C=C1)OCCCCCO2.Cl

Technology Process of 1-Propanone, 3-(dimethylamino)-1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)-, hydrochloride

There total 2 articles about 1-Propanone, 3-(dimethylamino)-1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)-, hydrochloride 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: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 11-Acetyl-3,9-dioxa-benzo<1,2>cyclononen (108950-25-0) + N,N-dimethylammonium chloride (506-59-2) → 3-Dimethylamino-1-(7,8,9,10-tetrahydro-6H-5,11-dioxa-benzocyclononen-2-yl)-propan-1-one; hydrochloride (132391-59-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 10h; Heating;

DOI:10.1007/BF00768387

Reference yield:

3,4,5,6-tetrahydro-2H-benzo<1,4>dioxonin (7124-99-4) → 3-Dimethylamino-1-(7,8,9,10-tetrahydro-6H-5,11-dioxa-benzocyclononen-2-yl)-propan-1-one; hydrochloride (132391-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / AlCl₃ / CH₂Cl₂ / 2 h / 20 °C

2: 78 percent / conc. HCl / ethanol / 10 h / Heating

With hydrogenchloride; aluminium trichloride; In ethanol; dichloromethane;

DOI:10.1007/BF00768387

upstream raw materials:

formaldehyd

11-Acetyl-3,9-dioxa-benzo<1,2>cyclononen

N,N-dimethylammonium chloride

3,4,5,6-tetrahydro-2H-benzo<1,4>dioxonin

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