Dimethyl-(3-oxo-3-phenylpropyl)azanium;chloride

Base Information

• Chemical Name: Dimethyl-(3-oxo-3-phenylpropyl)azanium;chloride
• CAS No.: 879-72-1
• Molecular Formula: C11H15 N O . Cl H
• Molecular Weight: 213.707
• Hs Code.: 29223900
• Mol file: 879-72-1.mol

Synonyms:AKOS005095715;5X-0955

Chemical Property of Dimethyl-(3-oxo-3-phenylpropyl)azanium;chloride

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.00812mmHg at 25°C
• Melting Point: 150-155 °C(lit.)
• Boiling Point: 267.5°C at 760 mmHg
• Flash Point: 91.6°C
• PSA: 20.31000
• LogP: 2.62300
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 213.0920418
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

3-(Dimethylamino)propiophenone hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Dimethyl-(3-oxo-3-phenylpropyl)azanium;chloride

There total 10 articles about Dimethyl-(3-oxo-3-phenylpropyl)azanium;chloride 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: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + acetophenone (98-86-2) → 3-(dimethylamino)propiophenone hydrochloride (879-72-1)

Guidance literature:

With hydrogenchloride; In ethanol; for 2h; Reflux;

DOI:10.1039/d0ra03509b

Reference yield: 93.0%

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + acetophenone (98-86-2) → 3-(dimethylamino)propiophenone hydrochloride (879-72-1)

Guidance literature:

In acetonitrile; at 110 ℃; Inert atmosphere;

DOI:10.1039/c5md00131e

Reference yield: 92.0%

1,3-DIOXOLANE (646-06-0) + N,N-dimethylammonium chloride (506-59-2) + acetophenone (98-86-2) → 3-(dimethylamino)propiophenone hydrochloride (879-72-1)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 3.5h;

DOI:10.1248/cpb.42.1676

upstream raw materials:

4-dimethylamino-2-phenyl-butyronitrile

formaldehyd

N,N-dimethylammonium chloride

acetophenone

Downstream raw materials:

β-Formylamino-propiophenon

5-phenyl-4,7-dihydro-1,2,4-triazolo<1,5-a>pyrimidine

2-Phenyl-1,4-dihydro-benzo[4,5]imidazo[1,2-a]pyrimidine

trimethyl-(3-oxo-3-phenyl-propyl)-ammonium; bromide

Refernces

• 1、 Yoon, Sung-Hwa,Lee, Eunhwa,Cho, Duk-Yeon,Ko, Hyun Myung,Baek, Ha Yeon,Choi, Dong-Kug,Kim, Eunha,Park, Ju-Young. "Synthesis of 4-(3-oxo-3-phenylpropyl)morpholin-4-ium chloride analogues and their inhibitory activities of nitric oxide production in lipopolysaccharide-induced BV2 cells". supporting information. . Retrieved 2021/02/02.
• 2、 Bortoli, Marco,Gianoncelli, Alessandra,Ongaro, Alberto,Orian, Laura,Oselladore, Erika,Ribaudo, Giovanni,Zagotto, Giuseppe. "Fluoxetine scaffold to design tandem molecular antioxidants and green catalysts". . p. 18583 - 18593. Retrieved 2020/06/08.