93982-97-9

Basic information

• Product Name: phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate
• Synonyms: phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate;Methyl[3-(2-methylphenoxy)-3-phenylpropyl]carbamic acid phenyl ester
• CAS NO: 93982-97-9
• Molecular Formula: C24H25NO3
• Molecular Weight: 375.4602
• EINECS: 301-284-1
• Mol File: 93982-97-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 523.1°Cat760mmHg
• Flash Point: 270.2°C
• Appearance: /
• Density: 1.149g/cm³
• Vapor Pressure: 4.87E-11mmHg at 25°C
• Refractive Index: 1.6
• PKA: -1.73±0.70(Predicted)
• CAS DataBase Reference: phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate(93982-97-9)
• EPA Substance Registry System: phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate(93982-97-9)

Safety Data

• Hazardous Substances Data: 93982-97-9(Hazardous Substances Data)

Usage

General Description

Phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate is a chemical compound with a complex molecular structure that combines phenyl, methyl, and carbamate groups with a three-(2-methylphenoxy)-3-phenylpropyl chain. phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate is commonly used as an insecticide and acaricide due to its effectiveness in controlling and eliminating pests in agriculture and household settings. It works by interfering with the nervous system of the target organisms, leading to paralysis and ultimately death. However, the use of phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate has raised concerns about its potential toxicity to humans and the environment, particularly its impact on non-target species and its potential for bioaccumulation in the food chain. Careful handling and proper disposal of this chemical are necessary to minimize risks and ensure its safe and effective use.

InChI:InChI=1/C24H25NO3/c1-19-11-9-10-16-22(19)28-23(20-12-5-3-6-13-20)17-18-27-24(26)25(2)21-14-7-4-8-15-21/h3-16,23H,17-18H2,1-2H3

Upstream product

• 83015-25-2 N,N-dimethyl-3-(2-methyl-phenyloxy)-3-phenyl-propanamine 
• 1885-14-9 phenyl chloroformate 
• 1007832-67-8 (R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropaneamine 

Relevant articles and documents

AN IMPROVED PROCESS FOR SYNTHESIZING HIGHLY PURE ATOMOXETINE

The present invention relates to a process for the preparation of highly pure atomoxetine of formula (I) and pharmaceutically acceptable salts thereof Formula (I) The present invention also aims at novel processes for the preparation and purification of intermediates involved in the process of the present invention.

A process for the preparation of aryloxypropylamines

A process for the preparation of a compound of formula (I), or a salt thereof, both as the as individual isomer and as mixtures thereof, wherein each of A and B is independently aryl or heteroaryl optionally substituted with 1 to 4 substituents; and R and R1, which can be the same or different, are hydrogen, C1-C6 alkyl or an amino-protecting group; comprising the reaction of a compound (II) wherein A and B are as defined above, with a compound (III) wherein each of R and R1 is independently C1-C6 alkyl or an amino-protecting group; and X is a leaving group; in the presence of a basic agent; and, if desired the conversion of a compound (I) to another compound (I); and/or, if desired, the separation of an isomeric mixture of a compound (I) into the individual isomers; and/or, if desired, the conversion of a compound (I) to a salt thereof.

A METHOD FOR THE PREPARATION OF (R)-N-METHYL-3-(2-METHYLPHENOXY)-3-PHENYLPROPYLAMINE HYDROCHLORIDE (ATOMOXETINE)

Racemic N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylproρylamine (VIII) is an intermediate for obtaining atomoxetine. Racemic N-benzyl-N-methyl-3-(2-methylphenoxy)-3- phenylpropylamine (VIII) further reacts in a solution of an organic solvent with an optically active acid producing a mixture of diastereoisomers, which are subsequently resolved by crystallization and converted to the respective (R) and (S) enantiomers of N-benzyl-N-methyl- 3-(2-methylphenoxy)-3-phenylpropylamine by treatment with an organic or inorganic base. The (R)-enantiomer of N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine ((R)-VIII) is further subjected to debenzylation by means of an alkyl or aryl chloro formate yielding an alkyl/aryl (R)-3-(2-methylphenoxy)-3-phenylpropylmethylcarbamate ((R)-IX), which is then hydrolyzed in the basic environment yielding the base of (R)-N-methyl-3-(2-methylphenoxy)- 3-phenylpropaneamine, which is finally converted to (R)-N-methyl-3-(2-methylphenoxy)-3- phenylpropanamine hydrochloride ((R)-I) by treatment with hydrochloric acid.