68285-22-3

Basic information

• Product Name: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)- (9CI)
• Synonyms: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)- (9CI);Benzenemethanamine,a-methyl-4-(1-methylethyl)-,(aS)-;Benzenemethanamine, α-methyl-4-(1-methylethyl)-, (αS)-;(1S)-1-(4-propan-2-ylphenyl)ethanamine;Benzenemethanamine, α-methyl-4-(1-methylethyl)-, (alphaS)- (9CI)
• CAS NO: 68285-22-3
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.25938
• Product Categories: ISOPROPYL;API intermediates
• Mol File: 68285-22-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 236.1°C at 760 mmHg
• Flash Point: 101.5°C
• Appearance: /
• Density: 0.923g/cm³
• Vapor Pressure: 0.0483mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)- (9CI)(68285-22-3)
• EPA Substance Registry System: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)- (9CI)(68285-22-3)

Safety Data

• Hazardous Substances Data: 68285-22-3(Hazardous Substances Data)

Usage

General Description

Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)- (9CI), also known as pseudoephedrine, is a sympathomimetic amine commonly used as a decongestant and stimulant. It works by constricting the blood vessels in the nasal passages, which helps to relieve congestion and improve airflow. Pseudoephedrine is also used as a precursor in the illegal production of methamphetamine. It has a potential for abuse and is classified as a Schedule V controlled substance in the United States. Side effects may include increased heart rate, elevated blood pressure, and insomnia, and it should be used with caution in individuals with cardiovascular or thyroid conditions.

InChI:InChI=1/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3/t9-/m0/s1

Upstream product

• 98571-16-5 1-(4-Isopropyl-phenyl)-ethylamine; compound with (E)-3-phenyl-acrylic acid 
• 98405-01-7 1-(4-Isopropylphenyl)-ethylamine*mandelic acid salt 
• 98571-16-5 1-(4-Isopropyl-phenyl)-ethylamine; compound with (E)-3-phenyl-acrylic acid 
• 98405-01-7 1-(4-Isopropylphenyl)-ethylamine*mandelic acid 
• 222737-11-3 [(S)-1-(4-Isopropyl-phenyl)-ethyl]-carbamic acid benzyl ester 
• 52629-44-4 4-(1-methylethyl)-benzeneacetyl chloride 
• 95976-43-5 (S)-2-(4'-isopropylphenyl) propionic acid 
• 222737-10-2 (S)-4-Isopropyl-3-[(S)-2-(4-isopropyl-phenyl)-propionyl]-oxazolidin-2-one 

Downstream Products

• 98571-19-8 (S)-1-(4-Isopropyl-phenyl)-ethylamine; compound with 2-hydroxy-succinic acid 
• 98571-16-5 1-(4-Isopropyl-phenyl)-ethylamine; compound with (E)-3-phenyl-acrylic acid 
• 98571-16-5 1-(4-Isopropyl-phenyl)-ethylamine; compound with (E)-3-phenyl-acrylic acid 
• 222737-09-9 Phosphoric acid mono-[4-((S)-2-acetylamino-2-{(S)-1-[(S)-1-(4-isopropyl-phenyl)-ethylcarbamoyl]-3-methyl-butylcarbamoyl}-ethyl)-phenyl] ester 

Relevant articles and documents

Phosphotyrosine-containing dipeptides as high-affinity ligands for the p56(lck) SH2 domain

Src homology-2 (SH2) domains are noncatalytic motifs containing approximately 100 amino acid residues that are involved in intracellular signal transduction. The phosphotyrosine-containing tetrapeptide Ac-pYEEI binds to the SH2 domain of p56(lck) (Lck) with an affinity of 0.1 μM. Starting from Ac-pYEEI, we have designed potent antagonists of the Lck SH2 domain which are reduced in peptidic character and in which the three carboxyl groups have been eliminated. The two C-terminal amino acids (EI) have been replaced by benzylamine derivatives and the pY + 1 glutamic acid has been substituted with leucine. The best C-terminal fragment identified, (S)-1-(4-isopropylphenyl)ethylamine, binds to the Lck SH2 domain better than the C-terminal dipeptide EI. Molecular modeling suggests that the substituents at the 4-position of the phenyl ring occupy the pY + 3 lipophilic pocket in the SH2 domain originally occupied by the isoleucine side chain. This new series of phosphotyrosine-containing dipeptides binds to the Lck SH2 domain with potencies comparable to that of tetrapeptide 1.