ethyl 2-cyano-4,4-diethoxybutanoate

Basic Information

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CAS Number

52133-67-2

Molecular Formula

C11H19NO4

Molecular Weight

229.27 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 Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

335.2℃ at 760 mmHg

Density

1,025 g/cm3

Flash Point

>110°C

SMILES

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CCOC(CC(C#N)C(=O)OCC)OCC

InChI

InChI=1S/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3

InChIKey

AHKACZDKUNMFBD-UHFFFAOYSA-N

LogP

1.47848

Complexity

240

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AHKACZDKUNMFBD-UHFFFAOYSA-N
Ethyl 2-cyano-4,4-diethoxybutyrate?
Ethyl-2,2-diethoxythylcyanoacetate
AKOS000281353
AMY31942
Ethyl 2,2-diethoxyethylcyanoacetate
DTXSID90399970
ethyl alpha-cyano-gamma,gamma-diethoxybutyrate
J-520748
ethyl-2-cyano-4,4-diethoxybutanoate
2-cyano-4,4-diethoxy butyric acid ethyl ester
EN300-130795
BUTANOIC ACID, 2-CYANO-4,4-DIETHOXY-, ETHYL ESTER
SY029877
ethyl 2-cyano-4,4-diethoxy-butanoate;Ethyl 2-cyano-4,4-diethoxybutyrate
AKOS016842411
2-cyano-4,4-diethoxy-butyric acid ethyl ester
52133-67-2
FT-0640047
AS-15760
CS-M3533
ethyl 2-cyano-4,4-diethoxybutanoate
MFCD02094250
AC-25498
Ethyl 2-cyano-4,4-diethoxybutyrate
ETHYL-2-CYANO-4,4-DIETHOXYBUTANOIDE
AB2838
PB29184
SCHEMBL124942
Ethyl 2-cyano-4 pound not4-diethoxybutyrate
A828944

MDL Number

MFCD02094250

FAQ

What are the physical and chemical properties of ethyl 2-cyano-4,4-diethoxybutanoate (CAS: 52133-67-2)?

Ethyl 2-cyano-4,4-diethoxybutanoate is a colorless to slightly yellow liquid at room temperature. Its molecular weight is approximately 258.25 g/mol. It has a pKa of around 14, indicating basicity. This compound is soluble in common organic solvents such as ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo ester hydrolysis or cyanide displacement reactions.

How is ethyl 2-cyano-4,4-diethoxybutanoate (CAS: 52133-67-2) typically synthesized?

Ethyl 2-cyano-4,4-diethoxybutanoate is commonly synthesized via the reaction of 2-cyano-4,4-diethoxybutanoyl chloride with ethanol. This reaction requires a suitable catalyst for better control over the diesterification step, often using a phase transfer catalyst. The yield is generally around 85-90%, with high selectivity towards the desired product.

What industries use ethyl 2-cyano-4,4-diethoxybutanoate (CAS: 52133-67-2)?

Ethyl 2-cyano-4,4-diethoxybutanoate finds application in the pharmaceutical industry for the synthesis of certain intermediates. It is also used in the polymer industry as a monomer or additive, and in the sensor industry for the development of gas-sensitive materials. Its unique chemical properties make it suitable for use in semiconductors as well.

What precautions should be taken when handling ethyl 2-cyano-4,4-diethoxybutanoate (CAS: 52133-67-2)?

Proper Personal Protective Equipment (PPE) is essential when handling ethyl 2-cyano-4,4-diethoxybutanoate. This includes gloves, safety goggles, and a lab coat. It is recommended to use a fume hood to minimize exposure to vapors. Spills should be handled by neutralizing the cyanide group with a basic solution, followed by appropriate disposal. Always refer to the Safety Data Sheet (SDS) for more detailed safety information.