21244-34-8

Basic information

• Product Name: 1-(4-ISOPROPOXYPHENYL)METHANAMINE
• Synonyms: 4-[(Prop-2-yl)oxy]benzylamine, (4-Isopropoxyphenyl)methylamine;(4-isopropoxyphenyl)methanamine
• CAS NO: 21244-34-8
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.24
• Mol File: 21244-34-8.mol

Chemical Properties

• Boiling Point: 259.2 °C at 760 mmHg
• Flash Point: 108.3 °C
• Appearance: /
• Density: 0.99g/cm³
• Vapor Pressure: 0.0131mmHg at 25°C
• Refractive Index: 1.518
• CAS DataBase Reference: 1-(4-ISOPROPOXYPHENYL)METHANAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-ISOPROPOXYPHENYL)METHANAMINE(21244-34-8)
• EPA Substance Registry System: 1-(4-ISOPROPOXYPHENYL)METHANAMINE(21244-34-8)

Safety Data

• Hazardous Substances Data: 21244-34-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Manufacturing:
1-(4-ISOPROPOXYPHENYL)METHANAMINE is used as a chemical intermediate for the production of other chemicals. Its primary utilization is in the manufacturing of various chemical compounds, contributing to the synthesis of a wide range of products in the chemical industry.

InChI:InChI=1/C10H15NO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3

Upstream product

• 40141-12-6 1-(Chloromethyl)-4-(1-methylethoxy)benzene 
• 91949-95-0 4-(1-methylethoxy)benzonitrile 
• 767-00-0 4-cyanophenol 
• 18962-05-5 4-isopropoxybenzaldehyde 

Downstream Products

• 85501-75-3 N-[4-Chloro-6-(4-isopropoxy-benzylamino)-2-methyl-pyrimidin-5-yl]-acetamide 
• 947240-36-0 N-(4-isopropoxybenzyl)-2-bromoacetamide 
• 1370412-51-3 tert-butyl benzhydryl(3-methylpyridin-2-yl)carbamate 
• 21420-61-1 N-(tert-butoxycarbonyl)(diphenylmethyl)amine 
• 1365942-56-8 N-(4-isopropoxybenzyl)-3-methylpyridin-2-amine 
• 1416556-12-1 N-[(4-isopropoxyphenyl)(phenyl)methyl]-3-methylpyridin-2-amine 

Relevant articles and documents

Structure-activity relationships in the binding of chemically derivatized CD4 to gp120 from human immunodeficiency virus

The first step in HIV infection is the binding of the envelope glycoprotein gp120 to the host cell receptor CD4. An interfacial "Phe43 cavity" in gp120, adjacent to residue Phe43 of gp120-bound CD4, has been suggested as a potential target for therapeutic intervention. We designed a CD4 mutant (D1D2F43C) for site-specific coupling of compounds for screening against the cavity. Altogether, 81 cysteine-reactive compounds were designed, synthesized, and tested. Eight derivatives exceeded the affinity of native D1D2 for gp120. Structure-activity relationships (SAR) for derivatized CD4 binding to gp120 revealed significant plasticity of the Phe43 cavity and a narrow entrance. The primary contacts for compound recognition inside the cavity were found to be van der Waals interactions, whereas hydrophilic interactions were detected in the entrance. This first SAR on ligand binding to an interior cavity of gp120 may provide a starting point for structure-based assembly of small molecules targeting gp120-CD4 interaction.

N-[4-(Methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: Analysis of structure-activity relationships for the 'C-Region'

We recently reported that N-(4-t-butylbenzyl)-N′-[4- (methylsulfonylamino)benzyl] thiourea (2) was a high affinity antagonist of the vanilloid receptor with a binding affinity of Ki=63 nM and an antagonism of Ki=53.9 nM in rat VR1 heterologously expressed in Chinese hamster ovary (CHO) cells (Mol. Pharmacol. 2002, 62, 947-956). In an effort to further improve binding affinity and antagonistic potency, we have modified the C-region of the lead 4-t-butylbenzyl group with diverse surrogates, such as araalkyl, alkyl, 4-alkynylbenzyl, indanyl, 3,3-diarylpropyl, 4-alkoxybenzyl, 4-substituted piperazine and piperidine. The lipophilic surrogates, arylalkyl and alkyl, conferred modest decreases in binding affinities and antagonistic potencies; the groups having heteroatoms resulted in dramatic decreases. Our findings indicate that 4-t-butylbenzyl is one of the most favorable groups for high receptor binding and potent antagonism to VR1 in this structural series.

Saturated heterocyclic carboxamide derivatives

A saturated heterocyclic carboxamide derivative of the following general formula (I) and salts thereof which have platelet activating factor (PAF) antagonizing activity. STR1