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Methyl 5-(bromoMethyl)-2-fluorobenzoate is a chemical compound characterized by the molecular formula C9H8BrFO2. It is a fluorinated benzene derivative that features a bromomethyl group and a methyl ester functional group. Methyl 5-(broMoMethyl)-2-fluorobenzoate is recognized for its unique structural attributes, which make it a valuable building block in the synthesis of a variety of fluorinated organic compounds.

709-45-5

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709-45-5 Usage

Uses

Used in Organic Synthesis:
Methyl 5-(bromoMethyl)-2-fluorobenzoate is utilized as a key intermediate in organic synthesis for the creation of diverse fluorinated organic compounds. Its presence of a bromomethyl group and a methyl ester functional group allows for versatile chemical reactions, facilitating the formation of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Methyl 5-(bromoMethyl)-2-fluorobenzoate is employed as a building block for the development of new drugs. Its unique structure contributes to the design of potential therapeutic agents, particularly those that may benefit from the properties of fluorination, such as increased lipophilicity and metabolic stability.
Used in Agrochemical Development:
Methyl 5-(bromoMethyl)-2-fluorobenzoate may also find applications in the agrochemical sector, where it could be used in the synthesis of new pesticides or other agrochemicals. The incorporation of fluorine into these compounds can enhance their effectiveness and selectivity, making them more potent and environmentally friendly.
It is crucial to handle Methyl 5-(bromoMethyl)-2-fluorobenzoate with appropriate safety measures, adhering to all relevant regulations and guidelines to ensure the safe use of this chemical compound in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 709-45-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 9 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 709-45:
(5*7)+(4*0)+(3*9)+(2*4)+(1*5)=75
75 % 10 = 5
So 709-45-5 is a valid CAS Registry Number.

709-45-5SDS

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 methyl 5-(bromomethyl)-2-fluorobenzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,5-(bromomethyl)-2-fluoro-,methyl ester

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:709-45-5 SDS

709-45-5Relevant academic research and scientific papers

Pyrrolopyrazole derivative and preparation method and medical application thereof

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Paragraph 0102; 0104, (2021/02/05)

The invention relates to a pyrrolopyrazole derivative and a preparation method and a medical application thereof. Specifically, the invention relates to a new pyrrolopyrazole derivative as shown in ageneral formula (I), a preparation method of the pyrrolopyrazole derivative and application of the pyrrolopyrazole derivative or a pharmaceutical composition containing the pyrrolopyrazole derivativeas a therapeutic agent, particularly as a gastric acid secretion inhibitor and potassium ion competitive acid blockers (P-CABs) in biological medicines, wherein substituents (R1, R2, R3 and R4) and groups (X) in the general formula (I) are the same as defined in the specification.

Identification and structure–activity relationship exploration of uracil-based benzoic acid and ester derivatives as novel dipeptidyl Peptidase-4 inhibitors for the treatment of type 2 diabetes mellitus

Deng, Xiaoyan,Jiang, Neng,Jiang, Weizhe,Li, Qing,Meng, Liuwei,Xing, Junhao,Xu, Yanjun

, (2021/08/17)

Our previously reported carboxyl-containing DPP-4 inhibitors were highly potent but were poorly bioavailable. Esters of the carboxyl analogs exhibited a significant DPP-4 potency loss albeit with enhanced oral absorption. Herein, we described identificati

MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS

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Page/Page column 110; 117, (2020/10/18)

Methods are provided for modulating MRGPR X4 generally, or for treating a MRGPR X4 dependent condition more specifically, by contacting the MRGPR X4 or administering to a subject in need thereof, respectively, an effective amount of a compound having the structure of Formula (I): (I) or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof, wherein n, x, A, Q1, Q2, Z, R, R1, R2, R3, R4 and R5 are as defined herein. Pharmaceutical compositions containing such compounds, as well as to compounds themselves, are also provided.

Quinazoline diketone salt compound containing piperazinone as well as preparation method, pharmaceutical composition and application thereof

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Paragraph 0075-0078, (2020/07/02)

The invention relates to a piperazinone-containing quinazoline-2,4-diketone salt compound serving as a PARP1/2 inhibitor, a preparation method thereof, a pharmaceutical composition containing the compound, and application of the compound serving as a drug, particularly serving as an antitumor drug or serving as a tumor drug sensitizer to be combined with the antitumor drug.

WDR5-MLL1 INHIBITORS AND MODULATORS

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Paragraph 0998-0999, (2020/03/02)

Benzamides and picolinamides that are meta-substituted with imino-, guanidino-, or heterocycle-containing groups disrupt the WDR5-MLL1 protein-protein interaction, and have use in pharmaceutical compositions and in treating proliferative disorders and conditions in a subject, such as cancer.

Optimization of the benzamide fragment targeting the S2′ site leads to potent dipeptidyl peptidase-IV inhibitors

Deng, Xiaoyan,Wang, Na,Meng, Liuwei,Zhou, Siru,Huang, Junli,Xing, Junhao,He, Linhong,Jiang, Weizhe,Li, Qing

, (2019/10/28)

Our recently successful identification of benzoic acid-based DPP-4 inhibitors spurs the further quest for in-depth structure-activity relationships (SAR) study in S2′ site DPP-4. Thus novel benzamide fragments were designed to target the S

QUINAZOLINE-2,4-DIONE DERIVATIVES AS PARP INHIBITORS

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Page/Page column 48-49, (2020/11/30)

The present invention relates to compounds of formula (I) and compositions containing said compounds acting as PARP (Poly (ADP- ribose) polymerase) inhibitors. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicine, in particular for the treatment of cell proliferative disorders, such as cancer.

Discovery of quinazoline-2,4(1: H,3 H)-dione derivatives as novel PARP-1/2 inhibitors: Design, synthesis and their antitumor activity

Zhou, Jie,Ji, Ming,Yao, Haiping,Cao, Ran,Zhao, Hailong,Wang, Xiaoyu,Chen, Xiaoguang,Xu, Bailing

supporting information, p. 3189 - 3202 (2018/05/15)

Novel quinazoline-2,4(1H,3H)-dione derivatives bearing a 3-amino pyrrolidine moiety were designed and synthesized as PARP-1/2 inhibitors. Structure-activity relationships were examined which revealed a number of potent PARP-1/2 inhibitors with moderate se

3-amino nafoxidine-containing quinazoline ketone PARP (Poly Adenosine Diphosphate Ribose Polymerase)-1/2 inhibitor as well as preparation method, medicinal composition and application thereof

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Paragraph 0245; 0247; 0248, (2018/11/22)

The invention discloses a novel 3-amino nafoxidine-containing quinazoline-2,4(1H, 3H)-diketone PARP-1/2 (Poly Adenosine Diphosphate Ribose Polymerase) inhibitor as well as a preparation method, a medicinal composition and application thereof. Specifically, the invention relates to a 3-amino nafoxidine-containing quinazoline-2,4(1H, 3H)-diketone derivative and a medicinal salt thereof of formula (I) as shown in the specification, a preparation method thereof, a composition with one or more such compounds, preparation of the compounds, and application thereof in preparing medicines for preventing and/or treating PARP-1/2 related diseases.

Containing piperazinone quinazoline ketone PARP - 1/2 inhibitor and its preparation method, pharmaceutical composition and use thereof (by machine translation)

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Paragraph 0137; 0138, (2017/09/08)

The invention discloses a new class of containing piperazinone quinazoline - 2, 4 (1 H, 3 H) - dione PARP - 1/2 inhibitor, and its preparation and pharmaceutical composition and use. Specifically, the invention relates to the general formula I shown containing of the piperazinone quinazoline - 2, 4 (1 H, 3 H) - dione derivatives and their pharmaceutically acceptable salt, and its preparation method, comprising one or more of the compounds of the composition, and the compounds in the preparation, the prevention and/or treatment with PARP - 1/2 of a disease associated with the use of the medicament. (by machine translation)

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