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4-Bromomethyl benzoyl chloride, with the chemical formula C8H6BrClO, is a derivative of benzoyl chloride where a hydrogen atom on the phenyl ring is substituted by a bromomethyl group. This colorless to pale yellow liquid at room temperature is highly reactive due to the presence of both bromine and chloride groups, making it a versatile reagent in organic synthesis.

52780-16-2

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52780-16-2 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromomethyl benzoyl chloride is used as a reagent in the synthesis of pharmaceutical compounds, contributing to the development of new drugs and therapeutic agents. Its reactivity allows for the formation of various chemical bonds, facilitating the creation of complex molecular structures.
Used in Agricultural Chemical Industry:
In the agricultural sector, 4-bromomethyl benzoyl chloride serves as a reagent in the production of agricultural chemicals, such as pesticides and herbicides. Its ability to form stable chemical linkages aids in the development of effective and durable agrochemicals.
Used in Organic Synthesis:
4-Bromomethyl benzoyl chloride is utilized as a building block in the synthesis of various organic compounds. Its unique structure and reactivity enable the formation of diverse chemical entities, expanding the scope of organic chemistry and its applications.
Due to the high reactivity and potential hazards of 4-bromomethyl benzoyl chloride, it is crucial to follow proper handling and safety precautions when working with 4-BROMOMETHYL BENZOYL CHLORIDE.

Check Digit Verification of cas no

The CAS Registry Mumber 52780-16-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,7,8 and 0 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 52780-16:
(7*5)+(6*2)+(5*7)+(4*8)+(3*0)+(2*1)+(1*6)=122
122 % 10 = 2
So 52780-16-2 is a valid CAS Registry Number.

52780-16-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(bromomethyl)benzoyl chloride

1.2 Other means of identification

Product number -
Other names 4-bromomethylbenzoyl 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:52780-16-2 SDS

52780-16-2Relevant academic research and scientific papers

Controlling the Spatial Organization of Liquid Crystalline Nanoparticles by Composition of the Organic Grafting Layer

W?jcik, Micha? M.,Olesińska, Magdalena,Sawczyk, Micha?,Mieczkowski, J?zef,G?recka, Ewa

, p. 10082 - 10088 (2015)

Understanding how the spatial ordering of liquid crystalline nanoparticles can be controlled by different factors is of great importance in the further development of their photonic applications. In this paper, we report a new key parameter to control the mesogenic behavior of gold nanoparticles modified by rodlike thiols. An efficient method to control the spatial arrangement of hybrid nanoparticles in a condensed state is developed by changing the composition of the mesogenic grafting layer on the surface of the nanoparticles. The composition can be tuned by different conditions of the ligand exchange reaction. The thermal and optical behavior of the mesogenic and promesogenic ligands were investigated by using differential scanning calorimetry (DSC) and hot-stage polarized optical microscopy. The chemical structure of the synthesized hybrid nanoparticles was characterized by 1HNMR spectroscopy, thermogravimetric analysis (TGA), XPS, and elemental analysis, whereas the superstructures were examined by small-angle X-ray diffraction (SAXSRD) analysis. Structural studies showed that the organic sublayer made of mesogenic ligands is denser with an increasing the average ligand number, thereby separating the nanoparticles in the liquid crystalline phases, which changes the parameters of these phases. Softening nanocrystalline gold: An efficient method to control the spatial arrangement of liquid crystalline gold nanoparticles was developed by changing the composition of the mesogenic grafting layer. Structural studies showed that the organic sublayer is more dense with increasing average ligand number, thereby separating the nanoparticles in the liquid crystalline phases, which changes the parameters of these phases (see figure).

Novel bifunctional hybrid small molecule scavengers for mitigating nerve agents toxicity

Amitai, Gabriel,Gez, Rellie,Raveh, Lily,Bar-Ner, Nira,Grauer, Ettie,Chapman, Shira

, p. 187 - 204 (2016)

The antidotal treatment of organophosphates (OP) nerve agents (NA) poisoning is based on anticholinergics (e.g. atropine) combined with oxime reactivators (e.g. 2PAM) of acetylcholinesterase (AChE). This treatment is symptomatic and does not degrade the OP. New small-molecule OP scavengers were developed as bifunctional hybrids. Their molecular design was based on combining a nucleophile that directly degrades OP with a moiety that reactivates OP-inhibited AChE. The OP degrading moiety is either benzhydroxamic acid (BHA) or 4-pyridinehydroxamic acid (4PHA) coupled via [sbnd](CH2)n[sbnd], (n = 1 or 3) to 2PAM. Three newly synthesized oxime-hydroxamate hybrids: 2PAMPr4PHA, 2PAMMeBHA and 2,4-DiPAMMeBHA were found to detoxify sarin, cyclosarin and soman in solution at 3–10-fold faster rate than 2PAM and to reactivate OP-AChE in vitro. 2PAMPr4PHA displayed 18-fold faster reactivation than 2-PAM of cyclosarin-inhibited HuAChE (kr = 3.6 × 102 vs. 0.2 × 102 M?1min?1, respectively, 37 °C). These hybrids inhibited AChE reversibly, IC50 = 16–48 μM, thereby decreasing the inhibition rates by OPs. The LD50 (im) of 2PAMPr4PHA, 2PAMMeBHA and 2,4DiPAMMeBHA are >568, 508 and >506 μmol/kg in rats and 144, 203 and >506 μmol/kg in guinea pigs. The rate of blood ChE recovery by the hybrids administered either pre- or post-exposure to 0.8xLD50 sarin was comparable or faster than 2PAM. Antidotal efficacy of 2PAMPr4PHA, 2PAMMeBHA and 2,4DiPAMMeBHA administered with atropine, as pre-treatment to sarin in rats (im), yielded protection ratios (PR) 11.6, 11.5 and 4.7, respectively, vs. 5.5 with 2PAM. Post-treatment against various OPs in rats and guinea-pigs yielded PRs higher or similar to that of 2 PAM. Our in vivo data indicates that some hybrids may serve as efficient small molecule scavengers for mitigating the toxicity of OP NAs.

Pd-catalyzed sp-sp3cross-coupling of benzyl bromides using lithium acetylides

Buter, Jeffrey,Doze, Anna M.,Feringa, Ben L.,Mondal, Anirban,Visser, Paco

supporting information, p. 7529 - 7532 (2021/08/05)

Organolithium-based cross-coupling reactions have emerged as an indispensable method to construct C-C bonds. These transformations have proven particularly useful for the direct and fast coupling of various organolithium reagents (sp, sp2, and sp3) with aromatic (pseudo) halides (sp2). Here we present an efficient method for the cross-coupling of benzyl bromides (sp3) with lithium acetylides (sp). The reaction proceeds within 10 min at room temperature and can be performed in the presence of organolithium-sensitive functional groups such as esters, nitriles, amides and boronic esters. The potential application of the methodology is demonstrated in the preparation of key intermediates used in pharmaceuticals, chemical biology and natural products.

From Kinase Inhibitors to Multitarget Ligands as Powerful Drug Leads for Alzheimer's Disease using Protein-Templated Synthesis

Nozal, Vanesa,García-Rubia, Alfonso,Cuevas, Eva P.,Pérez, Concepción,Tosat-Bitrián, Carlota,Bartolomé, Fernando,Carro, Eva,Ramírez, David,Palomo, Valle,Martínez, Ana

supporting information, p. 19344 - 19354 (2021/07/28)

Multitarget directed ligands (MTDLs) are arising as promising tools to tackle complex diseases. The main goal of this work is to create powerful modulating agents for neurodegenerative disorders. To achieve this aim, we have combined fragments that inhibi

1, 3-di-substituted-4-amino pyrazolopyrimidine compound, preparation method thereof and application of compound

-

Paragraph 0103; 0118-0119, (2019/03/08)

The invention relates to a 1, 3-di-substituted-4-amino pyrazolopyrimidine compound, a preparation method thereof and an application of the compound. The compound is provided with a structure as shownin a formula I. The invention further relates to a preparation method of the compound with the structure as shown in the formula I and a medicine composition. The invention further provides an application of the compound and pharmaceutically acceptable salt thereof to preparation of MCL (mantle cell lymphoma) resistance medicines.

Revefenacin intermediate, preparation method thereof and preparation method of revefenacin

-

Paragraph 0049; 0051, (2019/12/25)

The invention relates to the field of pharmaceutical synthesis, in particular to a revefenacin key intermediate (II), and also relates to a preparation method of the intermediate (II) and a method forpreparing revefenacin as shown in a formula (I) through the intermediate (II). The intermediate (II) is prepared from a compound (IV) and a compound (V) which are subjected to an amidation reaction.The revefenacin can be obtained from the intermediate (II) through a substitution reaction. A synthesis route is mild in condition, the conversion rate and selectivity are high, the reaction yield andthe reaction efficiency are high, energy consumption is low, post-treatment is convenient, reaction operation is easy and convenient, and the method for preparing the revefenacin shown in the formula(I) through the intermediate (II) is more suitable for industrial production.

ONE-BEAD-TWO-COMPOUND MACROCYCLIC LIBRARY AND METHODS OF PREPARATION AND USE

-

Paragraph 0156; 0157, (2018/11/02)

A one-bead-two-compound combinatorial synthesis technique provides libraries of macrocyclic peptidomimetic compounds and compositions with use as ligands for the Ephrin type-A receptor 2 (EphA2). The one-bead-two-compound technique and libraries of macrocyclic compounds are useful as research tools in drug discovery and/or to treat or prevent a range of diseases or disorders.

Discovery of novel 5-methyl-1H-pyrazole derivatives as potential antiprostate cancer agents: Design, synthesis, molecular modeling, and biological evaluation

Zhang, Daoguang,Asnake, Solomon,Zhang, Jingya,Olsson, Per-Erik,Zhao, Guisen

, p. 1113 - 1124 (2018/03/05)

Androgen receptor (AR) signaling functions as a core driving force for the progression of prostate cancer (PCa), and AR has been proved to be an effective therapeutic target even for castration-resistant prostate cancer (CRPC). Herein, structural modification via a fragments splicing strategy was performed based on two lead compounds T3 and 10e, leading to the discovery of a series of 5-methyl-1H-pyrazole derivatives. AR reporter gene assay revealed compounds A13 and A14 as potent AR antagonists. Some of the compounds in this series inhibited growth of PCa LNCaP cells more efficiently than enzalutamide. A13 and A14 also showed improved metabolic stability compared with 10e in human liver microsomes.

5-methyl-1H-pyrazole derivative, preparation method and applications thereof

-

Paragraph 0066, (2018/05/01)

The invention discloses a 5-methyl-1H-pyrazole derivative, a preparation method and applications thereof, wherein the compound has a structure represented by a general formula (I). The invention further provides the preparation method and the applications

1. 3 - Benzoxazine - 2, 4 (3 H) - dione derivatives and their synthesis and use (by machine translation)

-

Paragraph 0020; 0026; 0027, (2018/10/19)

The invention relates to a acetylcholine esterase with phosphodiesterase V enzyme inhibition benzoxazine dione derivative and its synthetic method and use, and in particular relates to the structure of the general formula (I) of 1, 3 benzoxazine - 2, 4 (3 H) - dione derivatives, R1 , R2 , R3 , R4 , R5 , R6 , R7 , R8 And R9 The specification of the existing limited to. This invention refers to these compound structure and synthetic method and in vitro acetylcholine esterase with phosphodiesterase V inhibiting activity, can be further developed into new drugs for treating Alzheimer's disease. (by machine translation)

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