25006-60-4

Basic information

• Product Name: isopropyl dichloroacetate
• Synonyms: isopropyl dichloroacetate;Dichloroacetic acid 1-methylethyl ester;Dichloroacetic acid isopropyl ester;Einecs 246-561-7
• CAS NO: 25006-60-4
• Molecular Formula: C₅H₈Cl₂O₂
• Molecular Weight: 171.02182
• EINECS: 246-561-7
• Mol File: 25006-60-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 242.14°C (rough estimate)
• Flash Point: 60.1°C
• Appearance: /
• Density: 1.2053
• Vapor Pressure: 1.75mmHg at 25°C
• Refractive Index: 1.4328 (estimate)
• CAS DataBase Reference: isopropyl dichloroacetate(CAS DataBase Reference)
• NIST Chemistry Reference: isopropyl dichloroacetate(25006-60-4)
• EPA Substance Registry System: isopropyl dichloroacetate(25006-60-4)

Safety Data

• Hazardous Substances Data: 25006-60-4(Hazardous Substances Data)

Usage

General Description

Isopropyl dichloroacetate is a chemical compound with the molecular formula C5H8Cl2O2. It is a colorless liquid with a pungent odor, and it is used primarily as an intermediate in the production of various other chemicals. Isopropyl dichloroacetate is used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is a versatile building block in organic synthesis, and its reactivity allows for the formation of a wide range of derivatives. Isopropyl dichloroacetate is commonly used in research and industrial applications due to its unique properties and reactivity.

InChI:InChI=1/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3

Upstream product

• 79-36-7 dichloroacethyl chloride 
• 67-63-0 isopropyl alcohol 
• 79-43-6 dichloro-acetic acid 
• 187737-37-7 propene 
• 7637-07-2 boron trifluoride 
• 1768-31-6 pentachloroacetone 

Downstream Products

• 56884-02-7 Isopropyl-2,2-dichlor-3-methylbutanoat 
• 1334217-94-5 C₂₆H₃₅ClO₄Si 
• 1334218-00-6 isopropyl 7-(tert-butyldiphenylsilyloxy)-2-(diethoxyphosphonomethenyl)heptanoate 
• 1350893-56-9 isopropyl 7-(tert-butyldiphenylsilyloxy)-2-(diethoxyphosphonomethenyl)heptanoate 
• 1334217-97-8 isopropyl 7-(tert-butyldiphenylsilyloxy)-2-oxoheptanoate 
• 54587-37-0 2-Chloro-3-hydroxy-2-methyl-3-phenyl-propionic acid isopropyl ester 
• 54587-35-8 2-Chloro-2-methyl-3-phenyl-propionic acid isopropyl ester 
• 58190-72-0 2-Cyclohexyl-2-methyl-butyric acid isopropyl ester 
• 206127-71-1 isopropyl 7-[[(1'S)-1'-phenylethyl]amino]-6,7-dideoxy-1,2:3,4-di-O-isopropylidene-D-glycero-α-D-galactooctopyranuronate 
• 206127-70-0 isopropyl 7-[[(1'S)-1'-phenylethyl]amino]-6,7-dideoxy-1,2:3,4-di-O-isopropylidene-L-glycero-α-D-galactooctopyranuronate 
• 156276-25-4 DL-leucic acid isopropyl ester 
• 727652-80-4 2-chloro-2-cyclohexyl-prop-2-enoic acid isopropyl ester 
• 881011-56-9 3-(4-methoxy-phenyl)-3-(2-nitro-phenylsulfanyl)-2-oxo-propionic acid isopropyl ester 

Relevant articles and documents

A simple synthesis of 2-keto-3-deoxy-D-erythro-hexonic acid isopropyl ester, a key sugar for the bacterial population living under metallic stress

2-Keto-3-deoxy-D-erythro-hexonic acid (KDG) is the key intermediate metabolite of the Entner Doudoroff (ED) pathway. A simple, efficient and stereoselective synthesis of KDG isopropyl ester is described in five steps from 2,3-O-isopropylidene-D-threitol with an overall yield of 47%. KDG isopropyl ester is studied as an attractive marker of a functional Entner Doudoroff pathway. KDG isopropyl ester is used to promote growth of ammonium producing bacterial strains, showing interesting features in the remediation of heavy-metal polluted soils.

Process for preparing 3-hydroxy 2-keto acids

A process has now been discovered by which an intermediate in preparation of antibiotics STR1 may be directly derived from the substrate STR2 by treatment with aqueous solutions of MHCO3 and MOH, wherein: R1, R2 and R3 are each independently alkyl, alkenyl, alkynyl, substituted alkyl, substituted alkenyl, substituted alkynyl, aryl, or substituted aryl; M is alkali metal (such as Na, Li, or K); and X is halogen.