64244-87-7

Basic information

• Product Name: 2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER
• Synonyms: 2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER;Ethyl 3-chloro-2,2-diMethyl-3-oxopropanoate;Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoat
• CAS NO: 64244-87-7
• Molecular Formula: C₇H₁₁ClO₃
• Molecular Weight: 178.61
• Mol File: 64244-87-7.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 200.822°C at 760 mmHg
• Flash Point: 74.493°C
• Appearance: /
• Density: 1.144g/cm³
• Vapor Pressure: 0.318mmHg at 25°C
• Refractive Index: 1.439
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• CAS DataBase Reference: 2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER(64244-87-7)
• EPA Substance Registry System: 2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER(64244-87-7)

Safety Data

• Hazardous Substances Data: 64244-87-7(Hazardous Substances Data)

Usage

General Description

2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER is a chemical compound that is also known by its IUPAC name ethyl 2-chloro-2-methylpropanoate. It is an ester of 2-chloro-2-methylpropanoic acid and is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER is a clear, colorless liquid with a pungent odor and is known to be flammable. It is also categorized as a hazardous substance and should be handled with caution. The compound is often used in the manufacturing of various chemical products, including insecticides, herbicides, and fungicides due to its reactive nature and ability to undergo chemical reactions to produce other compounds.

InChI:InChI=1/C7H11ClO3/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3

Upstream product

• 5471-77-2 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid 
• 105-53-3 diethyl malonate 
• 74-88-4 methyl iodide 
• 75-44-5 phosgene 
• 600-00-0 ethyl 2-bromoisobutyrate 
• 1619-62-1 2,2-dimethylmalonic acid diethyl ester 

Downstream Products

• 7507-43-9 ethyl 2,2-dimethyl-3-oxo-3-(phenylamino)propanoate 
• 24161-58-8 ethyl 2-nitrophenyl dimethylmalonate 
• 82763-44-8 3,4-Dimethoxy-benzoic acid 3-[ethyl-(6-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amino]-2,2-dimethyl-propyl ester 
• 84752-45-4 ethyl N-(3,4,5-trimethoxyphenethyl)-2,2-dimethylmalonamate 
• 84752-41-0 ethyl N-<2-(ethoxycarbonyl)ethyl>-N-(3,4,5-trimethoxyphenethyl)-2,2-dimethylmalonamate 
• 135473-84-6 N-(4-N',N'-dimethylaminophenyl)-2-carboethoxy-2-methylpropionamide 
• 135473-85-7 N-(4-fluorophenyl)-2-carboethoxy-2-methylpropionamide 
• 161364-68-7 ethyl 2-<(2-methoxyphenoxy)methyl>-α,α-dimethyl-β-oxo-1,3-thiazolidine-3-propionate 
• 138683-46-2 N-(2,6-Diisopropyl-phenyl)-2,2-dimethyl-malonamic acid ethyl ester 
• 229636-60-6 3-[6-(3-benzylureido)indolin-1-yl]-2,2-dimethyl-3-oxopropanoic acid 
• 403599-98-4 ethyl 3-[6-(3-benzylureido)indolin-1-yl]-2,2-dimethyl-3-oxopropanoate 
• 1026913-43-8 (R,S)-ethyl 3-{3-[6-(3-benzylureido)indolin-1-yl]-2,2-dimethyl-3-oxopropanoylamino}-3-(pyridin-3-yl)propanoate 
• 342797-12-0 (3R)-3,7,7-trimethyl-3-phenylpyrrolo[2,1-c][1,4]oxazine-1,4,6,8-tetraone 
• 342797-13-1 (3R,8aR)-8a-hydroxymethyl-3,7,7-trimethyl-3-phenylpyrrolo[2,1-c][1,4]oxazine-1,4,6,8-tetraone 

Relevant articles and documents

Structure-Activity Relationship of Phenylpyrazolones against Trypanosoma cruzi

Chagas disease is a neglected parasitic disease caused by the parasitic protozoan Trypanosoma cruzi and currently affects around 8 million people. Previously, 2-isopropyl-5-(4-methoxy-3-(pyridin-3-yl)phenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one (NPD-0227) was discovered to be a sub-micromolar inhibitor (pIC50=6.4) of T. cruzi. So far, SAR investigations of this scaffold have focused on the alkoxy substituent, the pyrazolone nitrogen substituent and the aromatic substituent of the core phenylpyrazolone. In this study, modifications of the phenyldihydropyrazolone scaffold are described. Variations were introduced by installing different substituents on the phenyl core, modifying the geminal dimethyl and installing various bio-isosteres of the dihydropyrazolone group. The anti T. cruzi activity of NPD-0227 could not be surpassed as the most potent compounds show pIC50 values of around 6.3. However, valuable additional SAR data for this interesting scaffold was obtained, and the data suggest that a scaffold hop is feasible as the pyrazolone moiety can be replaced by a oxazole or oxadiazole with minimal loss of activity.

Novel malonamide derivatives as αvβ3 antagonists. Syntheses and evaluation of 3-(3-indolin-1-yl-3-oxopropanoyl)aminopropanoic acids on vitronectin interaction with αvβ3

In attempt to find novel integrin of αvβ3 antagonists, we selected SC65811 and its guanidine analogue (1) as lead compounds. Modification of the glycine part of SC65811 led to a new series of malonamide derivatives that exhibited αvβ3 inhibitory activity. Among them, (R,S)-3-{3-[6-(3-benzylureido)indolin-1-yl]-3-oxopropanoylamino}-3- (pyridin-3-yl)propanoic acid (43a) showed not only potent activity with an IC50 value of 3.0 nM but also good selectivity for αvβ3 relative to αIIbβ3, α5β1, and αvβ5 with IC50 values of 19000, 11000, and 14 nM, respectively. Furthermore, optimization of 43a led to the most potent αvβ3 antagonist, (R,S)-3-(3-{6-[(4,5-dihydro-1H-imidazol-2-yl)aminoindolin-1-yl}- 3-oxopropanoylamino)-3-(quinolin-3-yl)propanoic acid (431) with an IC50 value of 0.42 nM. The synthesis and the structure-activity relationships of these malonamide derivatives are presented.

α-substituted malonester amides: Tools to define the relationship between ACAT inhibition and adrenal toxicity

We prepared a series of α-substituted malonester amides that were evaluated for their ability to inhibit acyl-CoA:cholesterol O-acyl transferase activity in vitro and to lower plasma total cholesterol levels in a variety of cholesterol-fed animal models.