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METHYL 2-METHYL-5-FLUOROBENZOATE is a chemical compound with the molecular formula C9H9FO2, typically appearing as a clear liquid or white solid. It is an organic ester that is susceptible to hydrolysis in the presence of acids or bases and is also flammable, requiring careful handling to prevent exposure to open flames or high heat. It is commonly used in the field of organic synthesis and as a pharmaceutical intermediate.

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  • 175278-29-2 Structure
  • Basic information

    1. Product Name: METHYL 2-METHYL-5-FLUOROBENZOATE
    2. Synonyms: RARECHEM AL BF 0505;METHYL 2-METHYL-5-FLUOROBENZOATE;METHYL 5-FLUORO-2-METHYLBENZOATE;5-fluoro-2-methylbenzoate
    3. CAS NO:175278-29-2
    4. Molecular Formula: C9H9FO2
    5. Molecular Weight: 168.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 175278-29-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 90-92°C 15mm
    3. Flash Point: 79.884 °C
    4. Appearance: /
    5. Density: 1.138 g/cm3
    6. Vapor Pressure: 0.178mmHg at 25°C
    7. Refractive Index: 1.491
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 2-METHYL-5-FLUOROBENZOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 2-METHYL-5-FLUOROBENZOATE(175278-29-2)
    12. EPA Substance Registry System: METHYL 2-METHYL-5-FLUOROBENZOATE(175278-29-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 175278-29-2(Hazardous Substances Data)

175278-29-2 Usage

Uses

Used in Organic Synthesis:
METHYL 2-METHYL-5-FLUOROBENZOATE is used as a chemical intermediate for the synthesis of various organic compounds. Its unique structure and reactivity make it a valuable building block in the creation of complex organic molecules.
Used in Pharmaceutical Industry:
METHYL 2-METHYL-5-FLUOROBENZOATE is used as a pharmaceutical intermediate for the development of new drugs. Its specific functional groups and properties allow it to be incorporated into the molecular structures of potential therapeutic agents, contributing to their pharmacological properties and efficacy.
Despite its frequent use in industry, there is limited information available on the potential toxicity or environmental impact of METHYL 2-METHYL-5-FLUOROBENZOATE. Further research is needed to fully understand its effects and ensure safe and responsible use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 175278-29-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,5,2,7 and 8 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 175278-29:
(8*1)+(7*7)+(6*5)+(5*2)+(4*7)+(3*8)+(2*2)+(1*9)=162
162 % 10 = 2
So 175278-29-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H9FO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3

175278-29-2SDS

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 Methyl 5-fluoro-2-methylbenzoate

1.2 Other means of identification

Product number -
Other names methyl 5-fluoro-2-methylbenzoate

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:175278-29-2 SDS

175278-29-2Relevant articles and documents

Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate

Lai, Huifang,Lin, Jin,Xu, Jiexin,Zha, Daijun

supporting information, p. 7621 - 7626 (2021/09/22)

Isoindolinones are ubiquitous structural motifs in natural products and pharmaceuticals. Establishing an efficient method for structural modification of isoindolinones could significantly facilitate new drug development. Herein, we describe copper-promoted direct amidation of isoindolinone scaffolds mediated by sodium persulfate. The method exhibits mild reaction conditions and high site-selectivity, and enables the structural modification of the drug indobufen ester with various amides with yields of 49 to 98%. It is also gram-scalable. Additionally, the reaction mechanism appears to involve a radical and a carbocationic pathway.

Aromatic ring-containing compound and application thereof

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Paragraph 0126-0131, (2019/10/01)

The present invention discloses an aromatic ring-containing compound and an application thereof, and provides an aromatic ring-containing compound represented by formula I, and a pharmaceutically acceptable salt, a hydrate, a solvate, a metabolite, a ster

Preparation method of ovarian cancer resistance medicine Rucaparib key intermediate

-

Paragraph 0024; 0030; 0031; 0035; 0036; 0040; 0041, (2018/09/11)

The invention discloses a preparation method of an ovarian cancer resistance medicine Rucaparib key intermediate, and relates to preparation of medical intermediates. A compound 1 takes methyl alcoholand cyclohexane as solvents, toluenesulfonic acid serve

Copper-catalyzed C-N coupling in the synthesis of integrase inhibitors of immunodeficiency viruses

Lin, Jinguan,Houpis, Ioannis N.,Liu, Renmao,Wang, Youchu,Zhang, Jianqian

, p. 205 - 214 (2014/05/20)

This contribution describes the total synthesis of a complex macrocyclic integrase inhibitor, a key enzyme involved in the infection process of various immunodeficiency viruses. The key transformation of the synthetic strategy was the selective C-N coupling of a sulfonamide to a heteroaryl bromide in the presence of potentially competing amide and carbamate functionalities. The transformation was accomplished with CuI catalysis using bypiridine as the ligand in the presence of base and enabled a convergent approach to the target molecule.

Biaryl substituted hydantoin compounds as TACE inhibitors

Yu, Wensheng,Tong, Ling,Kim, Seong Heon,Wong, Michael K.C.,Chen, Lei,Yang, De-Yi,Shankar, Bandarpalle B.,Lavey, Brian J.,Zhou, Guowei,Kosinski, Aneta,Rizvi, Razia,Li, Dansu,Feltz, Robert J.,Piwinski, John J.,Rosner, Kristin E.,Shih, Neng-Yang,Siddiqui, M. Arshad,Guo, Zhuyan,Orth, Peter,Shah, Himanshu,Sun, Jing,Umland, Shelby,Lundell, Daniel J.,Niu, Xiaoda,Kozlowski, Joseph A.

scheme or table, p. 5286 - 5289 (2010/10/18)

We disclose further optimization of hydantoin TNF-α convertase enzyme (TACE) inhibitors. SAR with respect to the non-prime region of TACE active site was explored. A series of biaryl substituted hydantoin compounds was shown to have sub-nanomolar Ki

Isoindol-1,3-dione and isoindol-1-one derivatives with high binding affinity to β-amyloid fibrils

Lee, Hyu Ji,Lim, Soo Jeong,Oh, Seung Jun,Moon, Dae Hyuk,Kim, Dong Jin,Tae, Jinsung,Yoo, Kyung Ho

, p. 1628 - 1631 (2008/09/19)

Based on the structural features of Indoprofen and PIB, a series of isoindol-1,3-diones 1a-k and isoindol-1-ones 2a-l were designed and synthesized. These 23 compounds were evaluated by competitive binding assay against aggregated Aβ42 fibrils using [125I]TZDM. All the isoindolone derivatives showed very good binding affinities with Ki values in the subnanomolar range (0.42-0.94 nM). Among them, isoindol-1,3-diones 1i and 1k and isoindol-1-ones 2c and 2i exhibited excellent binding affinities (Ki = 0.42-0.44 and 0.46-0.49 nM) than those of Indoprofen (Ki = 0.52 nM) and PIB (Ki = 0.70 nM). These results suggest that isoindolones could be served as a scaffold for potential AD diagnostic probes to monitor Aβ fibrils.

4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS

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Page/Page column 49, (2010/11/26)

Anti-viral agents of compounds of Formula (I): wherein A, R1, R2, R3 and R4 are as defined in the specification, processes for their preparation and their use in HCV treatment are provided.

DIPEPTIDYL PEPTIDASE-IV INHIBITORS

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Page/Page column 83-84, (2008/06/13)

The present invention relates generally to pyrrolidine and thiazolidine DPP-IV inhibitor compounds. The present invention also provides synthetic methods for preparation of such compounds, methods of inhibiting DPP-IV using such compounds and pharmaceutical formulations containing them for treatment of DPP-IV mediated diseases, in particular, Type-2 diabetes.

Methods of making 2,6-diaryl piperidine derivatives

-

, (2008/06/13)

Methods for preparing 2,6-diaryl piperidine derivatives are described. More particularly, 2,6-diaryl piperidines having formula 1-4 are prepared by cyclocondensation of an aryl or heteroaryl aldehyde with 1,3-acetonedicarboxylic acid.

Novel cyclic amide derivatives

-

, (2008/06/13)

Novel compounds represented by the following formula (I) that act as a ligand to sigma receptor/binding cite and a medicament comprising the same as an active ingredient: wherein X represents an alkyl group, an aryl group, a heterocyclic group or the like; Q represents a group represented by —CH2—, —CO—, —O—, —CH(OR7)— or the like wherein R7 represents a hydrogen atom, an alkyl group or the like; n represents an integer of from 0 to 5; R1 and R2 each represent a hydrogen atom, an alkyl group or the like; B represents either of the following groups: wherein R3, R4, R5, and R6 each represent a hydrogen atom, a halogen atom, an alkoxyl group or the like; m represents 1 or 2; and the ring of: represents an aromatic heterocyclic ring.

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