Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate

Basic Information

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CAS Number

64244-87-7

Molecular Formula

C7H11ClO3

Molecular Weight

178.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

66 ºC (16 Torr)

Density

1.144±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

74.5±21.6 ºC,

SMILES

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CCOC(=O)C(C)(C)C(=O)Cl

InChI

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

InChIKey

NLMSRVZREZMYNW-UHFFFAOYSA-N

LogP

1.3411

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

175

Synonyms & References

English

2-CHLOROCARBONYL-2-METHYL-PROPIONIC ACID ETHYL ESTER
SCHEMBL10964236
A853042
2-ethoxycarbonyl-2,2-dimethyl-ethanoyl chloride; dimethyl-malonic acid ethyl ester chloride;
DS-3356
MFCD01961298
NLMSRVZREZMYNW-UHFFFAOYSA-N
Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate
AKOS006279922
2-CHLOROCARBONYL-2-METHYL-PROPIONICACIDETHYLESTER
DTXSID30441684
Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, ethyl ester
AMY7775
Ethyl3-chloro-2,2-dimethyl-3-oxopropanoate
ethyl 2-chloroformyl-2-methylpropionate
64244-87-7
2-(ethoxycarbonyl)-2-methylpropionyl chloride
2-Chlorocarbonyl-2-methyl-propionic acid ethylester
Propanoic acid,3-chloro-2,2-dimethyl-3-oxo-, ethyl ester
2-chlorocarbonyl-2-methylpropanoic acid ethyl ester
2-ethoxycarbonyl-2,2-dimethyl-ethanoyl chloride
dimethyl-malonic acid ethyl ester chloride
dimethylmalonic acid monoethyl ester monochloride
Dimethylmalonicacid monoethyl ester chloride
Dimethyl-malonsaeure-aethylester-chlorid
ethyl 3-chloro-2,2-dimethyl-3-oxo-propanoate

MDL Number

MFCD01961298

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7)?

Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7) falls under the classification of an organic compound with potential health and environmental hazards. Regulatory guidelines include GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification, storage, and labeling. In the European Union, it is covered by REACH regulations for safety assessments and hazard communication. FDA and EPA guidelines apply for use in pharmaceuticals and environmental releases, respectively. Compliance with these regulations is crucial for safe handling and use.

Are there alternatives to Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7) in synthesis?

Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7) can be replaced by similar compounds such as ethyl 2,2-dimethyl-3-oxopropanoate or ethyl 3-bromo-2,2-dimethyl-3-oxopropanoate. These alternatives offer similar functionality but may differ in reactivity and cost. Isomers and analogs can also provide alternative solutions depending on the specific synthetic pathway and desired end product.

What is the market or research trend for Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7)?

Market trends for Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7) show increasing demand in the pharmaceutical and chemical industries due to its use as an intermediate in organic synthesis. Research trends focus on its role in developing new drug candidates and its application in polymer synthesis. Price trends suggest stability with slight fluctuations based on supply and demand in the chemical market. Emerging research fields include its use in biodegradable materials and specialized drug formulations.

How should waste containing Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7) be handled?

Waste containing Ethyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64244-87-7) should be handled through proper waste collection and storage, ensuring it is segregated from other waste streams. Incineration is a common method, but professional waste disposal services should be used due to the compound’s toxicity and potential for environmental harm. Environmental precautions include monitoring for residual chlorides and ensuring compliance with local and national waste disposal regulations. Safe disposal practices are essential to prevent contamination and protect public health.