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

Base Information

• Chemical Name: 3-(Dimethylamino)-1-(4-hydroxyphenyl)propan-1-one hydrochloride
• CAS No.: 2125-51-1
• Molecular Formula: C11H16ClNO2
• Molecular Weight: 229.707
• Hs Code.: 2922509090
• NSC Number: 12474
• DSSTox Substance ID: DTXSID60175501
• Mol file: 2125-51-1.mol

Synonyms:2125-51-1;3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one hydrochloride;3-(DIMETHYLAMINO)-1-(4-HYDROXYPHENYL)PROPAN-1-ONE.HCL;3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one;hydrochloride;1-Propanone, 3-(dimethylamino)-1-(4-hydroxyphenyl)-, hydrochloride;Propiophenone, 3-(dimethylamino)-4'-hydroxy-, hydrochloride;3-(Dimethylamino)-1-(4-hydroxyphenyl)-1-propanone hydrochloride;BIM-0021325.P001;SCHEMBL3327743;DTXSID60175501;CAA12551;NSC12474;CCG-13183;MFCD00454297;NSC 12474;NSC-12474;AKOS016007204;SB80446;LS-122922;CS-0151291;SR-01000522307;SR-01000522307-1;3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-onehydrochloride;3-dimethylamino-1-(4-hydroxy-phenyl)-propan-1-one hydrochloride salt

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

Chemical Property:

• Vapor Pressure: 6.19E-05mmHg at 25°C
• Boiling Point: 335.3°Cat760mmHg
• Flash Point: 156.6°C
• PSA: 40.54000
• Density: g/cm³
• LogP: 2.32860
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

3-(Dimethylamino)-1-(4-hydroxyphenyl)propan-1-onehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 3-(Dimethylamino)-1-(4-hydroxyphenyl)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: 89.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + 4-Hydroxyacetophenone (99-93-4) → 3-dimethylamino-1-(p-hydroxyphenyl)-1-propanone hydrochloride (2125-51-1)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 24h; Reflux;

DOI:10.1002/asia.201901561

Reference yield: 87.0%

→ 3-dimethylamino-1-(p-hydroxyphenyl)-1-propanone hydrochloride (2125-51-1)

Guidance literature:

Reference yield: 87.0%

1H-imidazole (288-32-4) + 3-dimethylamino-1-(p-hydroxyphenyl)-1-propanone hydrochloride (2125-51-1) → 1-(4-hydroxyphenyl)-3-(1H-imidazol-1-yl)-1-propanone (1440858-69-4)

Guidance literature:

1H-imidazole; 3-dimethylamino-1-(p-hydroxyphenyl)-1-propanone hydrochloride; In water; for 1h; Reflux;

With hydrogenchloride; In diethyl ether; isopropyl alcohol; at 20 ℃;

DOI:10.1002/ardp.201200287

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

4-Hydroxyacetophenone

Downstream raw materials:

4-(4-Hydroxy-benzoyl)-2-benzhydrylamino-ethan

[3-(4-Hydroxy-phenyl)-3-oxo-propyl]-trimethyl-ammonium; bromide

3-(4-Chloro-benzenesulfonyl)-1-(4-hydroxy-phenyl)-propan-1-one

3-Benzenesulfonyl-1-(4-hydroxy-phenyl)-propan-1-one

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、 Kucukoglu, Kaan,Gul, Mustafa,Atalay, Mustafa,Mete, Ebru,Kazaz, Cavit,Hanninen, Osmo,Gul, Halise Inci. "Synthesis of some Mannich bases with dimethylamine and their hydrazones and evaluation of their cytotoxicity against Jurkat cells". experimental part. p. 366 - 371. Retrieved 2012/01/14.