95331-76-3

Basic information

• Product Name: 2-BROMO-N-ISOBUTYLACETAMIDE
• Synonyms: 2-BROMO-N-ISOBUTYLACETAMIDE;acetamide, 2-bromo-N-(2-methylpropyl)-;2-bromo-N-isobutylacetamide(SALTDATA: FREE);2-bromo-N-(2-methylpropyl)acetamide;2-bromo-N-(2-methylpropyl)ethanamide
• CAS NO: 95331-76-3
• Molecular Formula: C₆H₁₂BrNO
• Molecular Weight: 194.08
• Mol File: 95331-76-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 274.5°C at 760 mmHg
• Flash Point: 119.8°C
• Appearance: /
• Density: 1.319g/cm³
• Vapor Pressure: 0.00537mmHg at 25°C
• Refractive Index: 1.471
• CAS DataBase Reference: 2-BROMO-N-ISOBUTYLACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-N-ISOBUTYLACETAMIDE(95331-76-3)
• EPA Substance Registry System: 2-BROMO-N-ISOBUTYLACETAMIDE(95331-76-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 95331-76-3(Hazardous Substances Data)

Usage

General Description

2-BROMO-N-ISOBUTYLACETAMIDE is a chemical compound with the molecular formula C6H11BrNO. It is an organic amide compound that contains a bromo group and an isobutyl group. This chemical is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It has also been identified as a potential reagent in the development of new chemical compounds for various industrial applications. Additionally, 2-BROMO-N-ISOBUTYLACETAMIDE may have potential applications in the field of medicinal chemistry and drug discovery due to its structural properties and reactivity. Its synthesis and properties make it a valuable compound in the development of new chemical products and applications.

InChI:InChI=1/C6H12BrNO/c1-5(2)4-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)

Upstream product

• 78-81-9 isobutylamine 
• 598-21-0 2-Bromoacetyl bromide 
• 22118-09-8 2-bromoacetyl chloride 
• 79-08-3 bromoacetic acid 

Downstream Products

• 66110-12-1 (2E,4E)-N-isobutyl-5-phenylpenta-2,4-dienamide 
• 99564-53-1 N-i-butyl-3-(4-nitrophenyl)-2E-propenamide 
• 62826-50-0 isobutyl triphenylphosphonium acetamide 
• 110890-35-2 [2-[(2-methylpropyl)amino]-2-oxoethyl]triphenylphosphonium bromide 
• 861929-74-0 Bis(phenylmethyl) 4,10-bis[2-[(2-methylpropyl)amino]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate 
• 504-48-3 spilanthol 
• 113449-26-6 4-Chlor-N-isobutyl-zimtsaeureamid 
• 92449-52-0 N-isobutyl-(E)-cinnamamide 
• 119826-64-1 4-Methoxy-N-isobutyl-zimtsaeureamid 
• 99564-68-8 (E)-N-isobutyl-3-(p-tolyl)acrylamide 

Relevant articles and documents

Microwave-assisted synthesis of N -isobutyl-4,5-epoxy-2(E)-decenamide

A new and efficient synthesis of a naturally occurring amide alkaloid, N-isobutyl-4,5-epoxy-2(E)-decenamide isolated from the roots of Piper nigrum has been described involving a total of nine steps. Octanal and 2-bromoacetic acid have been used as the starting materials.

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.