220498-08-8

Basic information

• Product Name: (R)-2-ISOPROPYL-SUCCINIC ACID-1-METHYL ESTER
• Synonyms: (R)-2-ISOPROPYL-SUCCINIC ACID-1-METHYL ESTER;(R)-3-METHOXYCARBONYL-4-METHYLPENTANOIC ACID;(R)-2-ISOPROPYLSUCCINIC ACID-1-METHYL ESTER, 95%, (98% EE);(R)-2-Isopropylsuccinic acid-1-Methyl ester, (98% ee)
• CAS NO: 220498-08-8
• Molecular Formula: C₈H₁₄O₄
• Molecular Weight: 174.19
• Mol File: 220498-08-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 225.17°C (rough estimate)
• Flash Point: 104.3°C
• Appearance: Clear yellow/Viscous Liquid
• Density: 1.0817 (rough estimate)
• Vapor Pressure: 0.00169mmHg at 25°C
• Refractive Index: 1.4630 (estimate)
• Storage Temp.: Refrigerator (+4°C)
• CAS DataBase Reference: (R)-2-ISOPROPYL-SUCCINIC ACID-1-METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-2-ISOPROPYL-SUCCINIC ACID-1-METHYL ESTER(220498-08-8)
• EPA Substance Registry System: (R)-2-ISOPROPYL-SUCCINIC ACID-1-METHYL ESTER(220498-08-8)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 220498-08-8(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow viscous liquid

InChI:InChI=1/C8H14O4/c1-5(2)6(4-7(9)10)8(11)12-3/h5-6H,4H2,1-3H3,(H,9,10)/p-1/t6-/m1/s1

Upstream product

• 130165-83-2 3-(methoxycarbonyl)-4-methylpent-3-enoic acid 
• 24347-63-5 methyl (S)-2-hydroxy-3-methylbutanoate 
• 90244-32-9 (R)-methyl 2-hydroxy-3-methylbutanoate 
• 148773-91-5 (R)-1-(methoxycarbonyl)-2-methylpropyl trifluoromethanesulfonate 
• 208113-74-0 (S)-3-Methyl-2-trifluoromethanesulfonyloxy-butyric acid methyl ester 

Downstream Products

• 208113-91-1 (R)-3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyric acid 
• 1190618-39-3 methyl (R)-4-(2-(4-(4-(6-chloro-benzo[d]thiazol-2-ylamino)phenyl)pyridin-2-yl)hydrazino)-2-isopropyl-4-oxo-butanoate 
• 85372-56-1 R-(+)-3-isopropyl-N-benzylpyrrolidine 

Relevant articles and documents

Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones

A series of P2-modified, orally active peptidic inhibitors of human neutrophil elastase (HNE) are reported. These pentafluoroethyl ketone-based inhibitors were designed using pentafluoroethyl ketone 1 as a model. Rational structural modifications were made at the P3, P2, and activating group (A(G)) portions of 1 based on structure-activity relationships (SAR) developed from in vitro (measured K(i)) data and information provided by modeling studies that docked inhibitor 1 into the active site of HNE. The modeling-based design was corroborated with X-ray crystallographic analysis of the complex between 1 and porcine pancreatic elastase (PPE) and subsequently the complex between 1 and HNE.