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(3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE, also known as 3-(Dimethylamino)-1-(1-naphthalenyl)-1-propanone Hydrochloride, is a white solid chemical compound. It is primarily recognized for its role as a reactant in the preparation of choline acetyltransferase (ChA) inhibitors, which are essential in the treatment of various neurological disorders.

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  • 5409-58-5 Structure
  • Basic information

    1. Product Name: (3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE
    2. Synonyms: (3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE;3-(diMethylaMino)-1-(naphthalen-1-yl)propan-1-one (HCl forM);3-(DiMethylaMino)-1-(naphthalen-1-yl)propan-1-one hydrochloride;3-(Dimethylamino)-1-(1-naphthalenyl)-1-propanone Hydrochloride;(3-DIMETHYLAMINO)-1''-PROPIOPTHONE HYDROCHLORIDE;Bedaquiline int-1 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one hydrochloride;-(DiMethylaMino)-1-(naphthalen-1-yl)propan-1-one hydrochloride;1-Propanone,3-(dimethylamino)-1-(1-naphthalenyl)-, hydrochloride (1:1)
    3. CAS NO:5409-58-5
    4. Molecular Formula: C15H17NO*ClH
    5. Molecular Weight: 263.76252
    6. EINECS: N/A
    7. Product Categories: bedaquiline intermediates
    8. Mol File: 5409-58-5.mol
  • Chemical Properties

    1. Melting Point: 165℃
    2. Boiling Point: 368.7°Cat760mmHg
    3. Flash Point: 139.4°C
    4. Appearance: /
    5. Density: 1.072g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: Ethanol, Methanol, Water
    9. CAS DataBase Reference: (3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE(5409-58-5)
    11. EPA Substance Registry System: (3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE(5409-58-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5409-58-5(Hazardous Substances Data)

5409-58-5 Usage

Uses

Used in Pharmaceutical Industry:
(3-DIMETHYLAMINO)-1''-PROPIONAPTHONE HYDROCHLORIDE is used as a reactant for the synthesis of choline acetyltransferase (ChA) inhibitors. These inhibitors play a crucial role in managing neurological conditions by regulating the levels of acetylcholine, a neurotransmitter, in the brain. The application of this compound in the pharmaceutical industry is significant due to its contribution to the development of medications that can potentially alleviate symptoms associated with cognitive impairment and other related disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 5409-58-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,0 and 9 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5409-58:
(6*5)+(5*4)+(4*0)+(3*9)+(2*5)+(1*8)=95
95 % 10 = 5
So 5409-58-5 is a valid CAS Registry Number.

5409-58-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one,hydrochloride

1.2 Other means of identification

Product number -
Other names 3-dimethylamino-1-naphthalen-1-ylpropan-1-one hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5409-58-5 SDS

5409-58-5Relevant articles and documents

PROCESS FOR THE PREPARATION OF BEDAQUILINE FUMARATE

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Page/Page column 9, (2020/08/22)

The present disclosure relates to an improved process for the preparation of bedaquiline fumarate, comprising a step of preparing bedaquiline by reaction of 3-benzyl-6-bromo-2-methoxyquinoline 5 with 3-(dimethylamino)-l-(naphthalen-l-yl)propan-l-one 4 in the presence of lithium pyrrolidide.

New 1-(2-chloroquinolin-3-yl)-4-dimethylamino-2-(naphthalen-1-yl)-1-phenylbutan-2-ols with antituberculosis activity

Omel’kov,Fedorov,Stepanov

, p. 1908 - 1918 (2019/10/22)

New 4-dimethylamino-2-(naphthalen-1-yl)-1-phenyl-1-(quinolin-3-yl)butan-2-ols with antituberculosis activity were synthesized. (1R*,2S*)-1-(6-Bromo-2-chloroquinolin-3-yl)-4-dimethylamino-2-(naphthalen-1-yl)-1-phenylbutan-2-ol hydrocitrate exhibiting high

Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207

Kalia, Dimpy,Anil Kumar,Meena, Gajanand,Sethi, Kashmir Prasad,Sharma, Rohit,Trivedi, Priyanka,Khan, Shaheb Raj,Verma, Ajay Singh,Singh, Shyam,Sharma, Sandeep,Roy, Kuldeep K.,Kant, Ruchir,Krishnan, Manju Yasodha,Singh, Bhupendra N.,Sinha, Sudhir,Chaturvedi, Vinita,Saxena, Anil K.,Dikshit, Dinesh K.

, p. 1554 - 1563 (2015/08/24)

One of the most significant breakthroughs in the battle against tuberculosis is the recent approval of the quinoline compound, TMC207, for the treatment of drug-resistant tuberculosis. To gain insight into the molecular determinants of the activity of TMC207 and to evaluate the scope of quinoline compounds as anti-tubercular agents, we synthesized a series of TMC207 derivatives and evaluated their anti-tubercular activity. Making the lateral chain of the drug rigid by linking it to an adjacent phenyl substituent resulted in a decrease in activity. In contrast, replacing a phenyl substituent of TMC207 with a quinoline moiety gave bisquinolines that demonstrated potent anti-tubercular activity in in vitro experiments, in ex vivo mouse bone marrow macrophage assays, and also in the in vivo mouse model of the disease. These results provide new guiding principles for modifying the TMC207 scaffold to develop efficacious anti-tubercular drugs and set the stage for the development of bisquinolines as a promising new class of anti-tubercular agents.

A novel antifungal agent with broad spectrum: 1-(4-Biphenylyl)-3-(1H- imidazol-1-yl)-1-propanone

Roman, Gheorghe,Mare?, Mihai,Nǎstasǎ, Valentin

, p. 110 - 118 (2013/04/10)

A series of (1-substituted aryl)-3-(1H-imidazol-1-yl)-1-propanones was synthesized through the N-alkylation of imidazole with 3-dimethylamino-1- (substituted aryl)-1-propanone hydrochlorides (ketonic Mannich bases). A second series of N1-substituted imidazoles was obtained by the reduction of the carbonyl function of the imidazole-ketones in the previous series by means of NaBH4. All of the compounds were evaluated for antifungal activity against 16 strains of Candida, and 3-(1H-imidazol-1-yl)-1-(4-biphenylyl)-1- propanone emerged as a broad-spectrum antifungal agent. Several 3-(1H-imidazol-1-yl)-1-(2′-(substituted benzyl)oxyphenyl)-1-propanones were also active towards Candida kefyr. Copyright

DIHYDROIMIDAZOTHIAZOLE DERIVATIVES

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Page/Page column 38, (2008/06/13)

Compounds of formula (I): or pharmaceutically acceptable salts thereof, exhibit 5-HT1A agonism in addition to noradrenaline reuptake inhibition and optionally also 5-HT reuptake inhibition are useful for the treatment of obesity.

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