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3-Hydroxy CitalopraM, also known as Citalopram EP Impurity B, is a derivative of Citalopram (C505000). It is an impurity found in the production process of Citalopram, a widely used antidepressant medication. 3-Hydroxy CitalopraM has a unique chemical structure that differentiates it from the parent compound, which may lead to different pharmacological properties and potential applications.

411221-53-9

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411221-53-9 Usage

Uses

Used in Pharmaceutical Industry:
3-Hydroxy CitalopraM is used as an impurity in the production of Citalopram (C505000) for its role in the development and manufacturing process of the antidepressant medication. Understanding the presence and effects of this impurity can help improve the quality, safety, and efficacy of the final drug product.
Additionally, due to its unique chemical structure, 3-Hydroxy CitalopraM may have potential applications in various fields, such as:
1. Research and Development:
3-Hydroxy CitalopraM can be used as a research compound to study its pharmacological properties and potential interactions with other substances. This may lead to the discovery of new therapeutic applications or the development of novel drug delivery systems.
2. Quality Control and Analysis:
As an impurity in the production of Citalopram, 3-Hydroxy CitalopraM can be used for quality control and analysis purposes. Monitoring its presence and concentration in the final product can help ensure the safety and efficacy of the antidepressant medication.
3. Drug Interaction Studies:
3-Hydroxy CitalopraM may be used in drug interaction studies to evaluate its potential effects when combined with other medications. This can provide valuable information on the safety and efficacy of combined therapies, as well as potential side effects or contraindications.

Check Digit Verification of cas no

The CAS Registry Mumber 411221-53-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,1,1,2,2 and 1 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 411221-53:
(8*4)+(7*1)+(6*1)+(5*2)+(4*2)+(3*1)+(2*5)+(1*3)=79
79 % 10 = 9
So 411221-53-9 is a valid CAS Registry Number.

411221-53-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-2-benzofuran-5-carbonitrile

1.2 Other means of identification

Product number -
Other names 3-Hydroxy Citalopram

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:411221-53-9 SDS

411221-53-9Downstream Products

411221-53-9Relevant academic research and scientific papers

Preparation method of citalopram impurities

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Paragraph 0025; 0034-0035; 0038, (2021/03/31)

The invention relates to a preparation method of a citalopram impurity. The preparation method comprises the following steps: oxidizing free 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-hydroxybutyl]-3-hydroxymethyl benzonitrile hydrobromide and a Jones reagent to prepare a citalopram impurity C; and carrying out a reduction reaction with DIBAL-H by using the citalopram impurity C asa raw material to prepare a citalopram impurity B, wherein the citalopram impurity B is 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-3-hydroxy-1,3-dihydro-5-nitrile isobenzofuran. According to the invention, the citalopram impurity can be stably obtained at high yield, so that a basis is provided for qualitative and quantitative determination of the impurity in a raw material medicine synthesisprocess.

CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES

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Paragraph 0230; 0472-0474, (2020/03/28)

A chemoselective and reactive Mn(CF3-PDP) catalyst system that enables for the first time the strategic advantages of late-stage aliphatic C—H hydroxylation to be leveraged in aromatic compounds. This discovery will benefit small molecule therapeutics by enabling the rapid diversification of aromatic drugs and natural products and identification of their metabolites.

Chemoselective methylene oxidation in aromatic molecules

Zhao, Jinpeng,Nanjo, Takeshi,de Lucca, Emilio C.,White, M. Christina

, p. 213 - 221 (2019/01/04)

Despite significant progress in the development of site-selective aliphatic C–H oxidations over the past decade, the ability to oxidize strong methylene C–H bonds in the presence of more oxidatively labile aromatic functionalities remains a major unsolved

Synthesis method of aryl alcohol compound and Escitalopram

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Paragraph 0151 - 0153, (2016/10/10)

The invention discloses a synthesis method of an aryl alcohol compound and Escitalopram. The synthesis method of the aryl alcohol compound comprises the following steps: under gas protection and in an organic solvent and in the presence of transition metal, diphosphine ligand and alkali, the compound of formula 1 reacts with an aryl boron reagent 2. The synthesis method of Escitalopram comprises the following steps: (1) under gas protection and in an organic solvent and in the presence of transition metal, diphosphine ligand and alkali, the compound of formula 4 reacts with the aryl boron reagent 2; (2) under gas protection and in an organic solvent and in the presence of alkali, the compound of formula 5 reacts with dimethylamine or hydrochloride thereof; (3) under gas protection and in an organic solvent and in the presence of organic phosphine ligand and a palladium catalyst, the compound of formula 7 reacts with metal cyanide; and (4) under gas protection and in an organic solvent and in the presence of a reducing agent, the compound of formula 6 reacts. The synthesis method disclosed by the invention has high yield and enantioselectivity.

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