660416-38-6

Basic information

• Product Name: methyl 3-fluoro-5-methyl-benzoate
• Synonyms: benzoic acid, 3-fluoro-5-methyl-, methyl ester
• CAS NO: 660416-38-6
• Molecular Formula: C₉H₉FO₂
• Molecular Weight: 168.1649632
• Mol File: 660416-38-6.mol

Chemical Properties

• CAS DataBase Reference: methyl 3-fluoro-5-methyl-benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-fluoro-5-methyl-benzoate(660416-38-6)
• EPA Substance Registry System: methyl 3-fluoro-5-methyl-benzoate(660416-38-6)

Safety Data

• Hazardous Substances Data: 660416-38-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-fluoro-5-methyl-benzoate is used as an intermediate for the synthesis of various pharmaceutical compounds. Its unique structure and properties make it a valuable building block in the development of new medicines.
Used in Agrochemical Industry:
Methyl 3-fluoro-5-methyl-benzoate is also used as an intermediate in the synthesis of agrochemicals. Its application in this industry contributes to the development of effective pesticides and other agricultural chemicals.
Used in Chemical Production:
Methyl 3-fluoro-5-methyl-benzoate serves as a key component in the production of various chemicals. Its versatility and reactivity make it an essential ingredient in the synthesis of a wide range of chemical products.

Upstream product

• 67853-03-6 methyl 3-(hydroxymethyl)benzoate 
• 929626-18-6 (3-methoxycarbonyl-5-methyl-phenyl)boronic acid 
• 518070-19-4 3-fluoro-5-methylbenzoic acid 
• 74-88-4 methyl iodide 
• 99-36-5 1-methoxycarbonyl-3-methylbenzene 
• 929626-17-5 methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 

Downstream Products

• 816449-87-3 methyl 3-(bromomethyl)-5-fluorobenzoate 
• 1379375-31-1 methyl 3-[(dimethylamino)methyl]-5-fluorobenzoate 
• 1379375-32-2 3-[(dimethylamino)methyl]-5-fluorobenzoic acid 
• 1379375-33-3 {3-[(dimethylamino)methyl]-5-fluorophenyl}methanol 
• 1379375-34-4 3-[(dimethylamino)methyl]-5-fluorobenzaldehyde 
• 1612896-32-8 methyl 3-fluoro-5-(((2-fluorophenyl)amino)methyl)benzoate 
• 1612896-36-2 Methyl 3-fluoro-5-[(2-fluoro-N-[(3R)-quinuclidin-3-yl]oxycarbonyl-anilino)methyl]benzoate 
• 518070-19-4 3-fluoro-5-methylbenzoic acid 

Relevant articles and documents

FLUORINATION OF ARYL COMPOUNDS

The invention provides compositions and methods of using the compositions in fluorinating aryl precursors containing a leaving group replaceable by a fluorine atom. The compositions include a metal ion source, a electrophilic fluorine source, a base, and a compound, which is an aryl precursor of the aryl fluoride, and which has a leaving group replaceable by the fluorine atom. Exemplary methods of the invention make use of such compositions and methods to prepare an aryl fluoride compound. In an exemplary embodiment, the electrophilic fluorine source is a source of 18F.

Copper-mediated fluorination of arylboronate esters. Identification of a Copper(III) fluoride complex

A method for the direct conversion of arylboronate esters to aryl fluorides under mild conditions with readily available reagents is reported. Tandem reactions have also been developed for the fluorination of arenes and aryl bromides through arylboronate ester intermediates. Mechanistic studies suggest that this fluorination reaction occurs through facile oxidation of Cu(I) to Cu(III), followed by rate-limiting transmetalation of a bound arylboronate to Cu(III). Fast C-F reductive elimination is proposed to occur from an aryl-copper(III)-fluoride complex. Cu(III) intermediates have been generated independently and identified by NMR spectroscopy and ESI-MS.

CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS

The present invention provides cyclobutyl substituted pyrrolopyrimidines and pyrrolopyridines of Formula I: wherein X, Y, Z, L, A, R5, n and m are defined above, as well as their compositions and methods of use, that modulate the activity of Janus kinases (JAKs) and are useful in the treatment of diseases related to the activity of JAKs including, for example, inflammatory disorders, autoimmune disorders, cancer, and other diseases.

FLUORINATION OF ORGANIC COMPOUNDS

Methods for fluorinating organic compounds are described herein.

Fluorination of boronic acids mediated by silver(I) Triflate

A regiospecific Ag-mediated fluorination reaction of aryl- and alkenylboronic acids and esters Is reported. The fluorination reaction uses commercially available reagents, does not require the addition of exogenous ligands, and can be performed on a multigram scale. This report discloses the first practical reaction sequence from arylboronic acid to aryl fluorides.

NEW COMPOUNDS

The present invention relates to new compounds of formula I, (I) a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy.