1131614-23-7

Basic information

• Product Name: Methyl 4-(difluoroMethoxy)-3-iodobenzoate
• Synonyms: Methyl 4-(difluoroMethoxy)-3-iodobenzoate
• CAS NO: 1131614-23-7
• Molecular Formula: C₉H₇F₂IO₃
• Molecular Weight: 328.0513564
• Mol File: 1131614-23-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 56 °C
• Boiling Point: 336.6±42.0 °C(Predicted)
• Appearance: /
• Density: 1.776±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: Methyl 4-(difluoroMethoxy)-3-iodobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-(difluoroMethoxy)-3-iodobenzoate(1131614-23-7)
• EPA Substance Registry System: Methyl 4-(difluoroMethoxy)-3-iodobenzoate(1131614-23-7)

Safety Data

• Hazardous Substances Data: 1131614-23-7(Hazardous Substances Data)

Usage

General Description

Methyl 4-(difluoromethoxy)-3-iodobenzoate is a chemical compound with the molecular formula C9H6F2IO3. It is a white to off-white solid that is used in various chemical and pharmaceutical applications, particularly in the synthesis of organic compounds. Its structure consists of a benzene ring with a methoxy group and an iodine atom attached to it, as well as two fluorine atoms attached to the methoxy group. Methyl 4-(difluoroMethoxy)-3-iodobenzoate is known to have potential medicinal and biological properties, and its precise structure and properties make it valuable for research and industrial applications.

Upstream product

• 15126-06-4 methyl 3-iodo-4-hydroxybenzoate 
• 1895-39-2 sodium chlorodifluoroacetate 
• 67-56-1 methanol 
• 75-45-6 Chlorodifluoromethane 
• 37470-46-5 4-hydroxy-3-iodobenzoic acid 
• 1493-03-4 iododifluoromethane 

Downstream Products

• 1197357-97-3 methyl 4-(difluoromethoxy)-3-(pyridin-2-ylethynyl)benzoate 
• 99-50-3 3,4-Dihydroxybenzoic acid 
• 1253291-28-9 (4-(difluoromethoxy)-3-(pyridin-2-ylethynyl)phenyl)(5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone hydrochloride salt 
• 1253291-12-1 (4-difluoromethoxy-3-pyridin-2-ylethynyl-phenyl)-(5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-methanone 
• 1197357-98-4 4-(difluoromethoxy)-3-(pyridin-2-ylethynyl)benzoic acid 
• 1197358-17-0 1-{[4-(difluoromethoxy)-3-(pyridin-2-ylethynyl)phenyl]carbonyl}-4-pyridin-2-ylpiperazine 

Relevant articles and documents

A robust process for an mGluR5 negative allosteric modulator: Difluoromethylation and sonogashira coupling on large scale

The development of the potent and selective mGluR5 negative allosteric modulator (NAM) 1 is described. Key features in the process, which has been implemented on a multikilogram scale, include a high-temperature difluoromethylation reaction, a Sonogashira coupling, and careful control of residual Pd and Cu in the final API. Due to the relative nonpolar nature of the intermediates, water-miscible solvents were employed in all four steps to allow for direct crystallizations upon reaction completion. In addition, several crystalline morphologies of the API were discovered, and the isolation of the desired form II will be discussed.

A new route to Roflumilast via copper-catalyzed hydroxylation

A new route to Roflumilast, a selective phosphodiesterase type 4 (PDE 4) inhibitor, is described. The synthetic procedure starts from 4-hydroxy-3-iodobenzoic acid to access the key intermediate 3- (cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid via copper-catalyzed hydroxylation and utilizes amide coupling to accomplish the synthesis of Roflumilast in 80% overall yield. Georg Thieme Verlag KG Stuttgart · New York.

BISARYL ALKYNYLAMIDES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5)

Disclosed are compounds of Formula (I): pharmaceutical compositions containing compounds of Formula I, and the use of compounds of Formula (I) to treat diseases and disorders including schizophrenia, paranoia, depression, manic-depressive illness and anxiety wherein W1-W5, X1-X4, Y, Z1-Z5, m, n, p, and R1-R6 in Formula (I) are defined in the specification.