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Methyl 3-fluoro-5-hydroxybenzoate is an organic compound characterized by the chemical formula C8H7FO3. It is a benzoic acid derivative featuring a methyl ester and a hydroxyl group at the 5th carbon atom, complemented by a fluorine atom at the 3rd carbon atom. This white crystalline solid is stable at room temperature but requires careful handling to prevent skin and eye irritation or the release of harmful fumes during heating or combustion.

1072004-32-0

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1072004-32-0 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-fluoro-5-hydroxybenzoate serves as a crucial intermediate in the synthesis of a variety of drugs and medications, contributing to the development of new therapeutic agents.
Used in Organic Synthesis:
Beyond its pharmaceutical applications, Methyl 3-fluoro-5-hydroxybenzoate holds potential in the realm of organic synthesis, where it can be utilized to create a range of chemical compounds for various purposes.
Used in Chemical Research:
Its unique structure and properties also make Methyl 3-fluoro-5-hydroxybenzoate a valuable compound in chemical research, where it can be explored for novel reactions and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1072004-32-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,7,2,0,0 and 4 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1072004-32:
(9*1)+(8*0)+(7*7)+(6*2)+(5*0)+(4*0)+(3*4)+(2*3)+(1*2)=90
90 % 10 = 0
So 1072004-32-0 is a valid CAS Registry Number.

1072004-32-0SDS

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 Methyl 3-fluoro-5-hydroxybenzoate

1.2 Other means of identification

Product number -
Other names -

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:1072004-32-0 SDS

1072004-32-0Downstream Products

1072004-32-0Relevant academic research and scientific papers

Structure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors

Wisniewski, John A.,Yin, Jinya,Teuscher, Kevin B.,Zhang, Min,Ji, Haitao

, p. 508 - 513 (2016)

A small-molecule inhibitor with a 1,4-dibenzoylpiperazine scaffold was designed to match the critical binding elements in the β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction interface. Inhibitor optimization led to a potent inhibitor that can disrupt the β-catenin/BCL9 interaction and exhibit 98-fold selectivity over the β-catenin/cadherin interaction. The binding mode of new inhibitors was characterized by structure-activity relationships and site-directed mutagenesis studies. Cell-based studies demonstrated that this series of inhibitors can selectively suppress canonical Wnt signaling and inhibit growth of Wnt/β-catenin-dependent cancer cells.

Sequential Ir/Cu-Mediated Method for the Meta-Selective C-H Radiofluorination of (Hetero)Arenes

Wright, Jay S.,Sharninghausen, Liam S.,Preshlock, Sean,Brooks, Allen F.,Sanford, Melanie S.,Scott, Peter J. H.

supporting information, p. 6915 - 6921 (2021/05/29)

This article describes a sequential Ir/Cu-mediated process for the meta-selective C-H radiofluorination of (hetero)arene substrates. In the first step, Ir-catalyzed C(sp2)-H borylation affords (hetero)aryl pinacolboronate (BPin) esters. The intermediate organoboronates are then directly subjected to copper-mediated radiofluorination with [18F]tetrabutylammonium fluoride to afford fluorine-18 labeled (hetero)arenes in high radiochemical yield and radiochemical purity. This entire process is performed on a benchtop without Schlenk or glovebox techniques and circumvents the need to isolate (hetero)aryl boronate esters. The reaction was automated on a TracerLab FXFN module with 1,3-dimethoxybenzene and a meta-tyrosine derivative. The products, [18F]1-fluoro-3,5-dimethoxybenzene and an 18F-labeled meta-tyrosine derivative, were obtained in 37 ± 5% isolated radiochemical yield and >99% radiochemical purity and 25% isolated radiochemical yield and 99% radiochemical purity, and 0.52 Ci/μmol (19.24 GBq/μmol) molar activity (Am), respectively.

METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS

-

Paragraph 0414-0415; 0440-0441, (2021/06/11)

In one aspect, the invention relates to 4-substituted benzoylpiperazine-1-substituted carbonyls, derivatives thereof, and related compounds; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders, e.g., various tumors and cancers, associated with β-catenin/BCL9 protein-protein interaction dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

Rhodium-Catalyzed Twofold Unsymmetrical C-H Alkenylation-Annulation/Thiolation Reaction to Access Thiobenzofurans

Lin, Jian,Hu, Liuyu,Chen, Chao,Feng, Huijin,Yu, Yang,Yang, Yaxi,Zhou, Bing

supporting information, p. 1194 - 1198 (2021/02/20)

A Rh(III)-catalyzed twofold unsymmetrical C-H alkenylation-annulation/thiolation reaction has been developed, enabling the straightforward and efficient synthesis of various thiobenzofurans in one step. This robust protocol proceeds with a broad substrate scope and good functional group tolerance under relatively mild reaction conditions.

Synthesis, structure-activity relationships, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics

Yang, Feipu,Jiang, Xiangrui,Li, Jianfeng,Wang, Yu,Liu, Yongjian,Bi, Minghao,Wu, Chunhui,Zhao, Qingjie,Chen, Weiming,Yin, Jingjing,Zhang, Jian,Xie, Yuanchao,Hu, Tianwen,Xu, Mingshuo,Guo, Shuang,Wang, Zhen,He, Yang,Shen, Jingshan

supporting information, p. 3141 - 3147 (2016/06/13)

In the present study, a series of benzamides, endowed with potent dopamine D2, serotonin 5-HT1A and 5-HT2A receptors properties, was synthesized and evaluated as potential antipsychotics. Among them, 3-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)-piperidin-1-yl)butoxy)-N-methylbenzamide (21) and its fluoro-substituted analogue (22) held the best pharmacological binding profiles. They not only presented potent activities for D2, 5-HT1A, and 5-HT2A receptors, but were also endowed with low activities for 5-HT2C, H1 receptors and hERG channels, suggesting a low propensity of inducing weight gain and QT prolongation. In animal models, compounds 21 and 22 reduced phencyclidine-induced hyperactivity with a high threshold for catalepsy induction. It thus provides potential candidates for further preclinical studies.

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