Methyl 1H-indole-4-carboxylate

Basic Information

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CAS Number

39830-66-5

Molecular Formula

C10H9NO2

Molecular Weight

175.19 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

Basic Physical Properties

Melting Point

69.0 to 73.0 deg-C

Boiling Point

331.7℃ at 760 mmHg

Flash Point

154.4℃

Refractive Index

1.5060 (estimate)

SMILES

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COC(=O)C1=C2C=CNC2=CC=C1

InChI

InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3

InChIKey

WEAXQUBYRSEBJD-UHFFFAOYSA-N

LogP

1.9545

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

indole-4-carboxylic-acid-methylester
Q27454827
39830-66-5
Q-102106
SCHEMBL45030
methyl 1H-indole-4-carboxylate
1H-indole-4-carboxylic acid methyl ester
4ME
BDBM93017
101277-72-9
I-2510
DTXSID80960395
BCP26865
WEAXQUBYRSEBJD-UHFFFAOYSA-N
methyl 1H-indole 4-carboxylate
AKOS000266632
A16055
4-Indole-carboxylic acid methyl ester; Indole-4-carboxylic acid methyl ester;methyl 1H-indole-4-carboxylate
MFCD00191222
AC-2619
SY002750
methylindole-4-carboxylate
FT-0654755
FT-0618756
CS-D1452
AM20040378
Methyl indole-4-carboxylate
methyl indole4-carboxylate
methyl 1H-4-indolecarboxylate
Methyl indole-4-carboxylate, 99%
CHEMBL3416133

MDL Number

MFCD00191222

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5)?

Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5) is a crystalline solid with a molecular weight of approximately 160.23 g/mol. It is slightly soluble in water but soluble in organic solvents such as methanol and acetonitrile. The compound is known for its basic nature and can participate in amide and ester-type reactions. It is also stable under normal storage conditions but reacts with acids to form indole-4-carboxylic acid.

How is Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5) typically synthesized?

Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5) is commonly synthesized by the reaction of methyl chloroformate with indole-4-carboxylic acid in the presence of a base such as sodium hydroxide. The process yields the desired ester with good selectivity and moderate to high yield, depending on the purification method used.

What industries use Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5)?

Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5) is primarily used in the pharmaceutical and organic synthesis industries. It serves as a precursor for the synthesis of various indole derivatives, which are important in drug discovery and development. Additionally, it can be used in polymer synthesis and as a reagent in analytical chemistry for the detection of certain compounds.

What precautions should be taken when handling Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5)?

When handling Methyl 1H-indole-4-carboxylate (CAS: 39830-66-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Spills should be contained and cleaned up using absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.