ethyl 5-methyl-1H-indole-2-carboxylate

Basic Information

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CAS Number

16382-15-3

Molecular Formula

C12H13NO2

Molecular Weight

203.24 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

160-164 °C

Boiling Point

356.5℃/760mmHg

Density

1.2±0.1 g/cm3

Water Solubility

Soluble in methanol, and dichloromethane. Insoluble in water.

Flash Point

236°C/4mm

Refractive Index

1.609

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C

InChI

InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3

InChIKey

KMVFKXFOPNKHEM-UHFFFAOYSA-N

LogP

2.6530200000000006

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

242

Synonyms & References

English

1H-Indole-2-carboxylic acid, 5-methyl-, ethyl ester
SR-01000389771
NSC30928
HMS2345F09
ethyl 5-methyl-2-indolecarboxylate
PB41011
Ethyl 5-methylindole-2-carboxylate, 97%
SR-01000389771-1
O10710
5-Methyl-1H-indole-2-carboxylic acid, ethyl ester
Ethyl 5-methylindole-2-carboxylate
DTXSID50283326
MLS000038492
BP-12440
ethyl 5-methyl-1H-indole-2-carboxylate
CS-W015452
M-4084
16382-15-3
EN300-317768
5-Methylindole-2-carboxylic acid ethyl ester
MFCD00022703
2-CARBETHOXY-5-METHYLINDOLE
AKOS001476257
5-Methylindole-2-carboxylic acid ethyl ester, NSC 30928
EU-0000203
CHEMBL1518533
SY040435
5-methyl-2-(ethoxycarbonyl)indole
FT-0626132
NSC-30928
NS-00008

MDL Number

MFCD00022703

Customs Code

2933990090

FAQ

What is ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3)?

Ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3) is a chemical compound with a molecular formula of C11H13NO2. It is a derivative of indole, characterized by a distinctive odor similar to that of jasmine. This compound is primarily used in the pharmaceutical and fragrance industries for its aromatic properties.

What are the main uses of ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3)?

Ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3) is widely used in the pharmaceutical industry as a precursor for the synthesis of various indole-based drugs. It is also utilized in the fragrance industry to add a jasmine-like aroma to perfumes and other scented products.

Is ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3) safe?

Ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3) is generally considered safe for use in the industry but requires proper handling to avoid skin contact and inhalation. It is important to follow safety guidelines and use appropriate personal protective equipment (PPE) such as gloves and respirators during synthesis and processing.

How should ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3) be stored?

Ethyl 5-methyl-1H-indole-2-carboxylate (CAS: 16382-15-3) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container made of appropriate materials to prevent degradation and contamination. Storage temperature should be maintained below 25°C (77°F) to ensure stability.