Ethyl 4-methyl-1H-pyrrole-3-carboxylate

Basic Information

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CAS Number

2199-49-7

Molecular Formula

C8H11NO2

Molecular Weight

153.18 g/mol

Basic Physical Properties

Melting Point

152.6-153.7 ºC

Boiling Point

289.7±20.0 ºC (760 Torr),

Flash Point

129.0±21.8 ºC,

SMILES

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CCOC(=O)C1=CNC=C1C

InChI

InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-9-4-6(7)2/h4-5,9H,3H2,1-2H3

InChIKey

MMDOYVVZUVZLHQ-UHFFFAOYSA-N

LogP

1.49982

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

147

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

DS-18626
FT-0634118
MMDOYVVZUVZLHQ-UHFFFAOYSA-N
NSC-35994
CS-0136289
Ethyl 4-methylpyrrol-3-carboxylate
ethyl 4-methyl-3-pyrrolecarboxylate
ethyl 3-methyl-1H-pyrrole-4-carboxylate
4-Methylpyrrole-3-carboxylic acid ethyl ester
ethyl 4-methyl-1h-pyrrole-3-carboxylate
3-ethoxycarbonyl-4-methyl-pyrrole
MFCD00030417
DTXSID70284158
1H-Pyrrole-3-carboxylic acid, 4-methyl-, ethyl ester
2199-49-7
ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE
3-(ethoxycarbonyl)-4-methylpyrrole
D70265
4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
SB62135
AKOS015898212
AMY19071
ETHYL4-METHYLPYRROLE-3-CARBOXYLATE
?ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE
NSC35994
SCHEMBL969677
3-Carbethoxy-4-methylpyrrole
Ethyl 4-methyl-1H-pyrrole-3-carboxylate
Ethyl 4-methylpyrrole-3-carboxylate
3-ethoxycarbonyl-4-methylpyrrole
3-methyl-4-carbethoxy pyrrole

MDL Number

MFCD00030417

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7)?

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7) is a white to off-white crystalline solid with a molecular weight of 166.22 g/mol. It is slightly soluble in water but easily soluble in organic solvents like methanol and ethanol. This compound is relatively stable under normal conditions but can react with strong bases. It has a melting point of 70-72°C and a boiling point of 200-205°C. It is often used in organic synthesis and as a precursor in various chemical processes.

How is Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7) typically synthesized?

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7) can be synthesized via esterification of 4-methyl-1H-pyrrole-3-carboxylic acid with ethanol. Commonly, this reaction is catalyzed by a strong acid such as hydrochloric acid or sulfuric acid. The yield is typically around 85-90%. The reaction is usually performed at room temperature and the product can be obtained by simple extraction or distillation.

What industries use Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7)?

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various pharmaceuticals and is also used in the preparation of functional polymers and composites. Additionally, it can be applied in the development of sensors and as a reagent in organic synthesis due to its unique chemical properties.

What precautions should be taken when handling Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7)?

When handling Ethyl 4-methyl-1H-pyrrole-3-carboxylate (CAS: 2199-49-7), safety goggles, gloves, and a lab coat should be worn. It is advisable to use a fume hood to minimize exposure to inhalation risks. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. This compound should be stored in a dry, cool, and well-ventilated area, away from heat and ignition sources. A Material Safety Data Sheet (MSDS) should be consulted for additional handling and storage instructions.