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2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride is a chemical compound characterized by the molecular formula C9H7ClN4O. It is a benzoyl chloride derivative that incorporates a 1,2,3-triazole ring and a methyl group, which endows it with unique structural and chemical properties. 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride is recognized for its reactivity and versatility in chemical reactions, establishing it as a significant building block in the realms of pharmaceutical and agrochemical research. Its distinctive structure and properties render it an invaluable asset in the synthesis of new compounds with potential biological activities.

1104546-96-4

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1104546-96-4 Usage

Uses

Used in Organic Synthesis:
2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride is utilized as a key intermediate in organic synthesis, particularly for the creation of triazole-based compounds. Its reactivity and ability to participate in a variety of chemical reactions make it a crucial component in the synthesis process.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride is employed as a building block for the development of new pharmaceutical compounds. Its unique structure allows for the exploration of novel drug candidates with potential therapeutic applications.
Used in Agrochemical Research:
Similarly, in agrochemical research, 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride is used as a precursor in the synthesis of new agrochemicals. Its properties contribute to the development of innovative products with applications in agriculture, such as pesticides and herbicides.
Used in the Development of Compounds with Biological Activities:
Due to its potential to be incorporated into a wide range of chemical entities, 2-(2H-1,2,3-triazol-2-yl)-5-Methyl-benzoyl chloride is also used in the development of compounds that exhibit biological activities. This includes the exploration of its use in creating molecules with antimicrobial, antiviral, or other bioactive properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1104546-96-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,0,4,5,4 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1104546-96:
(9*1)+(8*1)+(7*0)+(6*4)+(5*5)+(4*4)+(3*6)+(2*9)+(1*6)=124
124 % 10 = 4
So 1104546-96-4 is a valid CAS Registry Number.

1104546-96-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2H-1,2,3-triazol-2-yl)-5-methylbenzoil chloride

1.2 Other means of identification

Product number -
Other names .2-(2H-1,2,3-triazol-2-yl)-5-methylbenzoyl chloride

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:1104546-96-4 SDS

1104546-96-4Relevant academic research and scientific papers

Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation of 1,4-Diazepan-5-ones

Sercel, Zachary P.,Sun, Alexander W.,Stoltz, Brian M.

, p. 9158 - 9161 (2019)

We report the palladium-catalyzed asymmetric allylic alkylation of 1,4-diazepan-5-ones. This reaction proceeds smoothly to give gem-disubstituted diazepanone heterocycles bearing various functional groups in up to >99% yield and up to 95% ee. An electron-

Discovery of ORN0829, a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia

Aoki, Takeshi,Futamura, Aya,Hino, Noriko,Hiyoshi, Tetsuaki,Kambe, Daiji,Kawamoto, Hiroshi,Kirinuki, Sora,Nozawa, Dai,Ohmichi, Mari,Suzuki, Ryo,Tamura, Yunoshin,Tokumaru, Yuichi

, (2020)

Here, we present the design, synthesis, and SAR of dual orexin 1 and 2 receptor antagonists, which were optimized by balancing the antagonistic activity for orexin receptors and lipophilicity. Based on the prototype compound 1, ring construction and the i

METHOD FOR PRODUCING (2S)-2-[(1H-PYRAZOL-1-YL)METHYL]-1,3-OXAZINANE DERIVATIVE

-

Paragraph 0270-0274, (2021/05/21)

Provided is a novel process for producing a (2S)-2-[(1H-pyrazol-1-yl)methyl]-1,3-oxazinane derivative. More specifically, provided is a process for producing a (2S)-2-[(1H-pyrazol-1-yl)methyl]-1,3-oxazinane derivative represented by formula (1): the process comprising reacting 3-aminopropan-1-ol with glyoxylic acid.

The Quest for the Best Dual Orexin Receptor Antagonist (Daridorexant) for the Treatment of Insomnia Disorders

Boss, Christoph,Gatfield, John,Brotschi, Christine,Heidmann, Bibia,Sifferlen, Thierry,von Raumer, Markus,Schmidt, Gunther,Williams, Jodi T.,Treiber, Alexander,Roch, Catherine

supporting information, p. 2286 - 2305 (2020/10/30)

Since its discovery in 1998, the orexin system has been of interest to the research community as a potential therapeutic target for the treatment of sleep/wake disorders, stress and anxiety disorders, addiction or eating disorders. It consists of two G protein-coupled receptors, the orexin 1 and orexin 2 receptors, and two neuropeptides with agonistic effects, the orexin A and orexin B peptides. Herein we describe our efforts leading to the identification of a promising set of dual orexin receptor antagonists (DORAs) which subsequently went through physiology-based pharmacokinetic and pharmacodynamic modelling>[1] and finally led to the selection of daridorexant, currently in phase 3 clinical trials for the treatment of insomnia disorders.

Octahydropyrrolo[3,4-c]pyrrole derivative and application method and application thereof

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Paragraph 0188-0189, (2018/03/24)

The invention relates to an octahydropyrrolo[3,4-c]pyrrole derivative and an application method and application thereof. The compound and a pharmaceutical composition containing the compound are usedfor antagonizing orexin receptors. The invention also re

Octahydropyrrolo[3,4-c]pyrrole derivatives and use thereof

-

Paragraph 0193; 0199; 0200, (2020/02/06)

The invention relates to octahydropyrrolo[3,4-c]pyrrole derivatives and a use thereof. The above compounds and a medicinal composition containing the compounds are used for suppressing an orexin receptor. The invention also relates to a method for preparing the compounds and the medicinal composition, and the use of the compounds and the medicinal composition in the treatment or prevention of orexin receptor related diseases.

SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF

-

Page/Page column 54, (2017/03/08)

The present invention relates quinazolinone compounds of Formula (I), as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses; wherein the compounds or pharmaceutical compositions disclosed herein can be used for antagonizing the orexin receptor. The present invention also relates to uses of the compounds or pharmaceutical compositions in treating or preventing neurological and psychiatric disorders and diseases of the central nervous system in mammals, especially in humans.

OCTAHYDROPYRROLO [3, 4-c] PYRROLE DERIVATIVES AND USES THEREOF

-

Paragraph 00183, (2017/07/04)

The invention relates to octahydropyrrolo [3, 4-c] pyrrole derivatives and uses thereof. Compounds and pharmaceutical compositions comprising the compounds provided herein are used for antagonizing orexin receptors. The invention also relates to processes for preparing the compounds and pharmaceutical compositions, and uses thereof in treating or preventing a disease related to orexin receptors.

Indole derivative and uses thereof

-

Paragraph 0190; 0191, (2017/09/01)

The present invention relates to an indole derivative and uses thereof, wherein the compound and the pharmaceutical composition comprising the compound can be used for antagonizing orexin receptors. The present invention further relates to a method for preparing the compound and the pharmaceutical composition, and uses of the compound and the pharmaceutical composition in treatment or prevention of diseases associated with orexin receptors.

Method for preparing N-heterocyclic compound

-

Paragraph 0052; 0054, (2017/11/18)

The invention provides a method for preparing an N-heterocyclic compound and belongs to the technical field of pharmacy. The method for preparing the N-heterocyclic compound comprises the steps of carrying out condensation reaction on an N-heterocyclic intermediate compound and 2-ethoxy-5-chlorobenzoxazole under an acid condition, and carrying out aftertreatment to prepare the compound (1). The method is simple and convenient, and can be applied to industrial production.

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