Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Basic Information

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CAS Number

2199-59-9

Molecular Formula

C10H13NO3

Molecular Weight

195.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

164.0 to 168.0 deg-C

Boiling Point

358.4 °C at 760 mmHg

Density

1.173

Flash Point

170.5 °C

Refractive Index

1.556

SMILES

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CCOC(=O)C1=C(NC(=C1C)C=O)C

InChI

InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H3

InChIKey

GDISALBEIGGPER-UHFFFAOYSA-N

LogP

1.62074

Topological Polar Surface Area

59.160000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

229

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

2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole
1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
Ethyl5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
PS-6285
AB01501
DTXSID60176417
SCHEMBL1627475
Z89284937
FT-0634119
5-formyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
J-521137
A13183
NSC 13426
CS-W002153
NCGC00335024-01
ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate
EN300-13240
NS00027019
2199-59-9
4-ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde
AC-4254
BCP04682
Ethyl 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylate
NSC13426
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylicacidethylester
SY020518
E1051
AB01327007-02
AM20090212
AKOS001132948
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

MDL Number

MFCD00030352

Customs Code

2933990090

FAQ

What is Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9)?

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9) is an organic compound with the molecular formula C9H11NO3. It has a distinctive pyrrole structure with an ethyl ester group and a formyl group. This compound is used in various applications including pharmaceuticals, research, and organic synthesis due to its chemical properties.

What are the main uses of Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9)?

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9) is primarily used in pharmaceuticals as an intermediate in the synthesis of drugs. It is also utilized in research for its structural properties and in organic synthesis for its reactivity.

Is Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9) safe?

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9) is generally safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and protective gloves and goggles should be worn. It is important to follow all safety guidelines provided by the manufacturer and to handle the compound with care to avoid skin contact and inhalation.

How should Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9) be stored?

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS: 2199-59-9) should be stored in a tightly sealed container at room temperature, away from direct sunlight and heat sources. The storage area should be dry and free of moisture to prevent degradation. It is recommended to store the compound in a cool, dark place to maintain its stability and effectiveness.