3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochloride

Base Information

• Chemical Name: 3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochloride
• CAS No.: 2125-49-7
• Molecular Formula: C12H18ClNO2
• Molecular Weight: 243.733
• Hs Code.: 2923900090
• Mol file: 2125-49-7.mol

Synonyms:3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochloride;AKOS005098199;6X-0962

Chemical Property of 3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Boiling Point: 326.4°C at 760 mmHg
• Flash Point: 151.2°C
• PSA: 29.54000
• Density: 1.027g/cm3
• LogP: 2.63160
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.1026065
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

3-(Dimethylamino)-1-(4-methoxyphenyl)-propan-1-onehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CCC(=O)C1=CC=C(C=C1)OC.[Cl-]

Technology Process of 3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochloride

There total 4 articles about 3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one 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: 80.0%

→ 3-dimethylamino-1-(4-methoxy-phenyl)-propan-1-one; hydrochloride (2125-49-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 5h; Reflux;

With sodium hydrogencarbonate; In dichloromethane; water; for 0.333333h;

With hydrogenchloride; In ethyl acetate;

Reference yield: 74.1%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 3-dimethylamino-1-(4-methoxy-phenyl)-propan-1-one; hydrochloride (2125-49-7)

Guidance literature:

With sulfuric acid; In acetonitrile; for 9h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmcl.2021.127780

Reference yield: 14.0%

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 3-dimethylamino-1-(4-methoxy-phenyl)-propan-1-one; hydrochloride (2125-49-7)

Guidance literature:

In acetonitrile; at 45 - 509 ℃; for 2h;

DOI:10.1016/0223-5234(87)90295-9

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

1-(4-methoxyphenyl)ethanone

N,N-dimethyl(methylene)ammonium chloride

Downstream raw materials:

1-(4-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one

3-(4-methoxyphenyl)-2-cyclohexen-1-one

3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

1-(4-methoxyphenyl)prop-2-en-1-one