102561-41-1

Basic information

• Product Name: 2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95 %
• Synonyms: 2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95 %;Benzene, 1-ethyl-2-isocyanato-3-(1-methylethyl)- (9CI)
• CAS NO: 102561-41-1
• Molecular Formula: C₁₂H₁₅NO
• Molecular Weight: 189.2536
• Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 102561-41-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 36°C (estimate)
• Boiling Point: 241 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.011 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00866mmHg at 25°C
• Refractive Index: n20/D 1.523(lit.)
• CAS DataBase Reference: 2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95 %(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95 %(102561-41-1)
• EPA Substance Registry System: 2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95 %(102561-41-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 102561-41-1(Hazardous Substances Data)

Usage

General Description

2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95% is a chemical compound that is primarily used in the manufacturing of polyurethane foam, coatings, adhesives, and elastomers. It is an aromatic isocyanate with a high level of purity, making it suitable for a wide range of industrial applications. This chemical is known for its reactivity with hydroxyl groups, which allows it to be used as a crosslinking agent in polyurethane production. However, it is important to handle this substance with care, as it can be harmful if inhaled or comes into contact with skin or eyes. Overall, 2-ETHYL-6-ISOPROPYLPHENYL ISOCYANATE, 95% is a versatile chemical that plays a crucial role in the production of various industrial products.

InChI:InChI=1/C12H15NO/c1-4-10-6-5-7-11(9(2)3)12(10)13-8-14/h5-7,9H,4H2,1-3H3

Upstream product

• 75-44-5 phosgene 
• 53443-93-9 2-ethyl-6-isopropylaniline 

Downstream Products

• 1202526-47-3 1-(2-ethyl-6-isopropylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea 

Relevant articles and documents

Structural optimization of a CXCR2-directed antagonist that indirectly inhibits γ-secretase and reduces Aβ

Amyloid β (Aβ), a key molecule in the pathogenesis of Alzheimer's disease (AD), is derived from the amyloid precursor protein (APP) by sequential proteolysis via β- and γ-secretases. Because of their role in generation of Aβ, these enzymes have emerged as important therapeutic targets for AD. In the case of γ-secretase, progress has been made towards designing potent inhibitors with suitable pharmacological profiles. Direct γ-secretase inhibitors are being evaluated in clinical trials and new strategies are being explored to block γ-secretase activity indirectly as well. In this regard, we have previously reported an indirect regulation of γ-secretase through antagonism of CXCR2, a G-protein coupled receptor (GPCR). We demonstrated that N-(2-hydroxy-4-nitrophenyl)-N′-(2-bromophenyl)urea (SB225002), a selective inhibitor of CXCR2 also plays a role in an indirect inhibition of γ-secretase. Furthermore, we reported a ～5-fold difference in the selective inhibition of APP versus Notch processing via γ-secretase following treatment with SB225002. Herein we describe the synthesis and optimization of SB225002. By determination of the structure-activity relationship (SAR), we derived small molecules that inhibit Aβ40 production with IC50 values in the sub-micromolar range in a cell-based assay and also validated the potential of CXCR2 as a new target for therapeutic intervention in AD.