Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate

Basic Information

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CAS Number

112811-68-4

Molecular Formula

C12H11F3O4

Molecular Weight

276.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)OC)F)F

InChI

InChI=1S/C12H11F3O4/c1-3-19-9(17)5-8(16)6-4-7(13)11(15)12(18-2)10(6)14/h4H,3,5H2,1-2H3

InChIKey

WTKWXCRLEWADRT-UHFFFAOYSA-N

LogP

2.2484

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

337

Synonyms & References

English

Benzenepropanoic acid,2,4,5-trifluoro-3-methoxy-b-oxo-, ethyl ester
MFCD06658447
SB30768
AS-72534
WTKWXCRLEWADRT-UHFFFAOYSA-N
ethyl3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate
DTXSID80442207
AM20020216
FT-0701060
3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoic acid ethyl ester
ETHYL 3-(2,4,5-TRIFLUORO-3-METHOXYPHENYL)-3-OXOPROPANOATE
ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate
112811-68-4
Ethyl 3-methoxy-2,4,5-trifluorobenzoylacetate
3-OXO-3-(2,4,5-TRIFLUORO-3-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
SCHEMBL966496
EN300-239849
Ethyl 3-methoxy-2,4,5-trifluorobenzoyl acetate
Ethyl 2,4,5-trifluoro-3-methoxybenzoylacetate
SY258593
ethyl-3-methoxy-2,4,5-trifluorobenzoylacetate
AKOS015911279
3-Oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propionicacidethylester
Ethyl3-methoxy-2,4,5-trifluorobenzoylacetate
ethyl (3-methoxy-2,4,5-trifluorobenzoyl)acetate
AB1441
CS-0076017
3-Oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propionic acid ethyl ester
A802660
F2167-1309
J-521316

MDL Number

MFCD06658447

Customs Code

2918990090

FAQ

What is Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate (CAS: 112811-68-4)?

Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate is a chemical compound with the CAS number 112811-68-4. It is an ester with a complex molecular structure, characterized by a trifluoromethoxyphenyl ring and a propenoic acid moiety. This compound is used in pharmaceutical and chemical synthesis applications due to its unique functional groups.

What are the main uses of Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate (CAS: 112811-68-4)?

Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate is primarily used in the pharmaceutical industry for the synthesis of intermediates and active pharmaceutical ingredients (APIs). It is also utilized in chemical research for the development of new materials and for the modification of organic compounds.

Is Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate (CAS: 112811-68-4) safe?

Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate is generally considered safe for use under normal handling conditions, provided appropriate safety measures are followed. It is important to wear protective equipment, such as gloves and goggles, and to ensure proper ventilation. Avoid contact with skin and eyes, and store it in a cool, dry place away from direct sunlight.

How should Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate (CAS: 112811-68-4) be stored?

Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate should be stored in a cool, dry place to prevent degradation. It should be kept away from direct sunlight and sources of heat. The compound should be stored in a tightly sealed container to protect it from moisture and airborne contaminants. It is recommended to store it below 25°C and avoid exposure to temperatures above 30°C.