927872-64-8

Basic information

• Product Name: 2-(2-isopropyl-4-Methoxyphenoxy)acetonitrile
• Synonyms: 2-(2-isopropyl-4-Methoxyphenoxy)acetonitrile;2-(4-Methoxy-2-isopropylphenoxy)acetonitrile;EOS-61049
• CAS NO: 927872-64-8
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.253
• Mol File: 927872-64-8.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 337℃
• Flash Point: 125℃
• Appearance: /
• Density: 1.039
• CAS DataBase Reference: 2-(2-isopropyl-4-Methoxyphenoxy)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-isopropyl-4-Methoxyphenoxy)acetonitrile(927872-64-8)
• EPA Substance Registry System: 2-(2-isopropyl-4-Methoxyphenoxy)acetonitrile(927872-64-8)

Safety Data

• Hazardous Substances Data: 927872-64-8(Hazardous Substances Data)

Usage

Molecular weight

219.28 g/mol This is the mass of one mole of the compound, measured in grams.
Used as an intermediate in the synthesis of pharmaceuticals and organic compounds This describes one of the common uses of the compound, as a starting material or building block in the production of other chemicals.
Utilized in the production of pesticides, herbicides, and other agricultural chemicals This describes another common use of the compound, in the production of chemicals used in agriculture.
Potential as a toxic and irritant substance This indicates that the compound may have harmful effects on health or the environment, and proper handling and storage procedures must be followed.

Upstream product

• 26307-50-6 4-bromo-2-isopropyl-phenol 
• 13522-86-6 2-iso-propyl-4-methoxyphenol 
• 107-14-2 chloroacetonitrile 
• 150-76-5 4-methoxy-phenol 
• 624-75-9 iodoacetonitrile 
• 14562-04-0 toluene-4-sulfonic acid cyanomethyl ester 

Relevant articles and documents

Development of a green and sustainable manufacturing process for gefapixant citrate (MK-7264) Part 3: Development of a one-pot formylation-cyclization sequence to the diaminopyrimidine core

The development of a safe, robust, and efficient manufacturing route for the synthesis of diaminopyrimidine 1, a key intermediate to gefapixant citrate (MK-7264), is described. A full mechanistic understanding of the cyclization step in the presence of guanidine was established by performing isotopic labeling experiments and identification of impurities. Guided by the mechanistic understanding, further attempts to modify the cyclization reaction by employing additives to reduce the triazine (9) formation and guanidine loading will also be presented. This newly developed method delivered compound 1 in 88-94% yield on a commercial scale and addressed the shortcomings of the early synthetic route including high PMI, low atom economy, long cycle-time, and multiple purifications to achieve the desired quality.

Identification and SAR of novel diaminopyrimidines. Part 1: The discovery of RO-4, a dual P2X3/P2X2/3 antagonist for the treatment of pain

P2X purinoceptors are ligand-gated ion channels whose endogenous ligand is ATP. Both the P2X3 and P2X2/3 receptor subtypes have been shown to play an important role in the regulation of sensory function and dual P2X3/P2X2/3 antagonists offer significant potential for the treatment of pain. A high-throughput screen of the Roche compound collection resulted in the identification of a novel series of diaminopyrimidines; subsequent optimization resulted in the discovery of RO-4, a potent, selective and drug-like dual P2X3/P2X2/3 antagonist.

Diaminopyrimidines as P2X3 and P2X2/3 modulators

Compounds and methods for treating diseases mediated by a P2X3 and/or a P2X2/3 receptor antagonist, the compounds being of formula (I): wherein R1, R2, R3 and R4 are as defined herein.