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3-Fluoro-2-hydroxy-benzoic acid methyl ester, with the molecular formula C8H7FO3, is a methyl ester derivative of 3-fluoro-2-hydroxybenzoic acid. It features a fluorine atom and a hydroxyl group on the benzene ring, contributing to its unique chemical properties. This white to off-white crystalline solid has a melting point of approximately 118-120°C and is utilized in various applications due to its potential in organic synthesis and pharmaceutical research.

70163-98-3

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70163-98-3 Usage

Uses

Used in Organic Synthesis:
3-Fluoro-2-hydroxy-benzoic acid methyl ester is used as a building block in organic synthesis for the creation of various biologically active molecules. Its unique structure allows for the development of compounds with specific properties, making it a valuable component in the synthesis process.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-Fluoro-2-hydroxy-benzoic acid methyl ester is utilized as a key intermediate in the synthesis of new drugs. Its presence in the molecular structure can influence the pharmacological activity, selectivity, and potency of the resulting drug candidates.
Used in Agrochemical Development:
3-Fluoro-2-hydroxy-benzoic acid methyl ester may also have potential applications in the development of new agrochemicals. Its chemical properties can be harnessed to create compounds with pesticidal or herbicidal activities, contributing to advancements in agricultural chemistry.
It is important to handle and store 3-Fluoro-2-hydroxy-benzoic acid methyl ester with appropriate safety precautions due to its potential hazards, ensuring the safety of both individuals and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 70163-98-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,1,6 and 3 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 70163-98:
(7*7)+(6*0)+(5*1)+(4*6)+(3*3)+(2*9)+(1*8)=113
113 % 10 = 3
So 70163-98-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3

70163-98-3SDS

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 methyl 3-fluoro-2-hydroxybenzoate

1.2 Other means of identification

Product number -
Other names methyl-3-fluorosalicylate

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:70163-98-3 SDS

70163-98-3Relevant academic research and scientific papers

Rhodium(III)-Catalyzed Oxidative Intramolecular 1,1-Oxyamination of Alkenes with Protected Amino Acids to Produce Oxazoloisoindole-2,5-diones

Takahashi, Hiroto,Nagashima, Yuki,Tanaka, Ken

supporting information, p. 1891 - 1895 (2021/04/05)

It has been established that an electron-deficient bis(ethoxycarbonyl)-substituted cyclopentadienyl (CpE) rhodium(III) complex catalyzes the oxidative intramolecular 1,1-oxyamination of alkenes with N-benzoyl amino acids to produce oxazoloisoindole-2,5-diones. Experimental and theoretical mechanistic studies revealed that this oxidative 1,1-oxyamination proceeds via not the aza-Wacker reaction but the formation of a rhoda(III)oxazolidine initiated by the carboxylic acid-directed N?H bond cleavage.

Design and synthesis of ruthenium bipyridine catalyst: An approach towards low-cost hydroxylation of arenes and heteroarenes

Shome, Sanchari,Singh, Surya Prakash

supporting information, p. 3743 - 3746 (2017/09/01)

Two new ruthenium bipyridine complexes were designed and synthesized for intermolecular Csp2-H hydroxylation. An environmentally begin and inexpensive oxidant was employed as an oxygen source thereby enhancing its applicability and resulting in the remarkable increase of yield. In the catalytic process a ruthenium (IV) cationic complex is formed which enables the regioselective C–O bonds formation and also proves to be tolerant to a broad substrate scope. Activation of C–H bonds adjacent to removable and non-removable directing groups have been explored efficiently.

CALCILYTIC COMPOUNDS

-

Page/Page column 46, (2008/06/13)

Novel calcilytic compounds, pharmaceutical compositions, methods of synthesis and methods of using them are provided.

PARP inhibitors

-

Page/Page column 27-28, (2008/06/13)

A compound of the formula (I): and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: R2, R3, R4 and R5 are independently selected from the group consisting of H, C1-7 /su

A short and efficient preparation of methyl-[1,2,4]oxadiazolium derivatives with plant-inducing activity

Dobler, Markus R.

, p. 963 - 964 (2007/10/03)

A short and efficient preparation of methyl-[1,2,4]oxadiazolium derivatives with plant-inducing activity is discussed. A concise and efficient synthetic method leading to structurally diverse array of oxadiazolium derivatives, starting from halogenated phenols is also developed. The starting point of the synthesis is the Lewis acid mediated addition of isocyanates to phenols. The strategy also involves a new and rapid access to all meta-halogenated salicylic acids, compounds of high synthetic value.

A Novel Electrophilic Fluorination of Activated Aromatic Rings Using Acetyl Hypofluorite, Suitable also for Introducing (18)F into Benzene Nuclei

Lerman, Ori,Yitzhak, Tor,Hebel, David,Rozen, Shlomo

, p. 806 - 813 (2007/10/02)

Acetyl hypofluorite (1) is a new compound that serves as a novel electrophilic fluorinating agent.It is special in the sense that, while it is very reactive, it is still a milder reagent than other fluoroxy compounds such as CF3OF or CF3COOF.It is synthesized directly from elemental fluorine and is used without any isolation or purification.The hypofluorite 1 reacts efficiently and selectively with activated aromatic rings,particularly phenol and aniline derivatives after suitable protection of the hydroxyl and the amino groups.The net result of the reaction is partly according to classical aromatic electrophilic substitution.Unlike such a substitution, however, the electrophilic fluorine atom of 1 substitutes mainly an ortho hydrogen and only occasionally small amounts of p-fluoro derivatives are found.Evidence supports the mechanism for this aromatic fluorination as being mainly an addition-elimination one.In many cases the electrophilic aromatic fluorinations can replace the classical 60-year-old Balz-Schiemann method, which until today is probably the most used procedure.Since aromatic fluorination with 1 is a very fast reaction and since 1 is produced directly from elemental fluorine, this is probably one of the best ways for introduction of the short-living radioisotope (18)F into activated aromatic rings.This will greatly encourage the synthesis of compounds suitable for use in the rapidly developing field of positron emitting transaxial tomography, which in itself depends on the efficient and easy supply of compounds possessing positron emitting isotopes.

Acetyl Hypofluorite as a Taming Carrier of Elemental Fluorine for Novel Electrophilic Fluorination of Activated Aromatic Rings

Lerman, Ori,Tor, Yitzhak,Rozen, Shlomo

, p. 4629 - 4631 (2007/10/02)

The new fluorinating reagent CH3COOF, which is prepared in situ from F2, is used for electrophilic aromatic fluorinations of activated aromatic rings.

3-Substituted salicylamides

-

, (2008/06/13)

Novel 3-substituted salicylamides having increased analgesic activity and prolonged analgesic activity are disclosed.

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