4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Basic Information

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CAS Number

86770-31-2

Molecular Formula

C14H21NO4

Molecular Weight

267.33 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

386.8°C at 760 mmHg

SMILES

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CCOC(=O)c1c(c([nH]c1C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C14H21NO4/c1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h15H,7H2,1-6H3

InChIKey

CJXJFSNESZDOGK-UHFFFAOYSA-N

LogP

2.7635400000000008

Topological Polar Surface Area

68.39 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

348

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Sunitinib Intermediate
t-Butyl 3,5-dimethyl-4-ethoxycarbonylpyrrole-2-carboxylate
3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 4-ETHYL ESTER-2-T-BUTYL ESTER
1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-(1,1-dimethylethyl) 4-ethyl ester
2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester
3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
2-tert-Butyloxycarbonyl-3,5-dimethyl-4-ethoxycarbonylpyrrole
2-(tert-Butyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
2-tert-Butyl 4-ethyl 3,5-dimethylpyrrole-2,4-dicarboxylate
3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester 4-ethyl ester
1H-PYRROLE-2,4-DICARBOXYLIC ACID, 3,5-DIMETHYL-, 2-(1,1-DIMET

MDL Number

MFCD02179394

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS: 86770-31-2)?

The compound has a crystalline form with a molecular weight of approximately 348.47 g/mol. It is slightly soluble in water but miscible with organic solvents. It exhibits moderate reactivity, typically reacting with bases and acids. The compound is known for its stability under normal conditions but should be stored in a cool, dry place to prevent decomposition.

How is 4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS: 86770-31-2) typically synthesized?

This compound is typically synthesized through a multistep process involving the condensation of dimethyl pyrrole-2,4-dicarboxylate with (E)-2-(2-methyl-2-propanyl)-4-ethenylbenzaldehyde. The synthesis involves the use of a catalyst and requires precise control of temperature and reaction time to achieve high yield and selectivity. The reaction mixture is then purified by recrystallization or column chromatography.

What industries use 4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS: 86770-31-2)?

This compound is used in various industries, including pharmaceuticals for the development of new drugs, polymers for advanced materials, and sensors for detecting chemical and biological agents. It also finds applications in semiconductor manufacturing for its electronic properties.

What precautions should be taken when handling 4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS: 86770-31-2)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The chemical should be handled in a well-ventilated area or a fume hood to prevent inhalation of potential vapors. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions.