Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Basic Information

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CAS Number

54278-10-3

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

Melting Point

75-77 °C

Boiling Point

389.8℃ at 760 mmHg

Density

1.111

Flash Point

189.5 °C

Refractive Index

1.51

SMILES

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CCOC(=O)CCC1=C(NC(=C1C)C(=O)OCC)C

InChI

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

InChIKey

ZYNJVGCLOFPWFZ-UHFFFAOYSA-N

LogP

2.30394

Topological Polar Surface Area

68.39 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

319

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL891168
Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
MFCD00010644
ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1h-pyrrole-2-carboxylate
ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1h-pyrrole-3-propanoate
Ethyl2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
NSC 157290
54278-10-3
ZYNJVGCLOFPWFZ-UHFFFAOYSA-N
NSC-157290
SB63888
NS00127393
SY005500
ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropanoate
FT-0640233
AS-18101
ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepr
5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propionic acid ethyl ester
2,4-Dimethyl-5-ethoxycarbonyl-3-(2-ethoxycarbonylethyl)pyrrole
CS-W012414
2-ethoxycarbonyl-4-(2-ethoxycarbonylethyl)-3,5-dimethylpyrrole
DTXSID10303190
Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate, 97%
NSC157290
2,4-Dimethyl-3-carbethoxy ethyl-5-carbethoxy-pyrrole
2,4-dimethyl-5-ethoxycarbonyl-3-(2-ethoxycarbonylethyl)-pyrrole
AKOS015898102
Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
5-Ethoxycarbonyl-2,4-dimethyl-1H-pyrrole-3-propanoic acid ethyl ester
Ethyl 2,4-dimethyl-5-ethoxycarbonylpyrrole-3-propionate
3-(2-ETHOXYCARBONYLETHYL)-2,4-DIMETHYL-5-ETHOXYCARBONYL-1H-PYRROL

MDL Number

MFCD00010644

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3)?

Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3) is subject to various regulatory guidelines, including GHS classification for hazardous substances, REACH regulations for the European Union, and FDA/EPA requirements for chemical safety and environmental protection. Compliance with these regulations ensures the safe handling, storage, and disposal of the compound.

Are there alternatives to Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3) in synthesis?

There are alternative reagents and compounds that can be used in synthesis as substitutes for Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3). These include similar pyrrole derivatives with different functional groups or isomers that offer similar reactivity but with slightly different properties, reducing the potential for certain side reactions or improving yield and selectivity.

What is the market or research trend for Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3)?

The market trend for Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3) is driven by its use in the development of new pharmaceuticals and agrochemicals. Research is focusing on its potential as a precursor for synthesizing bioactive compounds. Additionally, there is growing interest in exploring its environmental impact and sustainability in industrial applications.

How should waste containing Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3) be handled?

Waste containing Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS: 54278-10-3) should be handled according to hazardous waste management guidelines. Collect waste liquids in appropriate containers and seal them properly. Incineration or professional waste disposal services should be used to ensure safe disposal. Implement environmental protection measures to prevent contamination of soil and water during storage and disposal.