Methyl 1H-indole-2-carboxylate

Basic Information

View in Editor

CAS Number

1202-04-6

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

151.0 to 155.0 deg-C

Boiling Point

331.7℃ at 760 mmHg

Water Solubility

470 mg/L (25 ºC)

Flash Point

Not considered to be a fire hazard

Refractive Index

1.639

SMILES

View in Editor

COC(=O)C1=CC2=CC=CC=C2N1

InChI

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

InChIKey

NQPIEWBAWBFGOB-UHFFFAOYSA-N

LogP

1.9545

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4P-019
STR04421
1202-04-6
Indole-2-carboxylic Acid Methyl Ester
MFCD00460779
I-2500
AH-357/03497008
Z17755623
N9H9PEV5QF
Methyl Indole-2-carboxylate
TimTec1_000020
Methyl 1H-indole-2-carboxylate, AldrichCPR
Ethyl-indole-2-caboxylate
SR-01000522291-1
SY021058
2-indolecarboxylic acid methyl ester
AKOS000265415
SR-01000522291
Methylindole-2-carboxylate
2-Methoxycarbonylindole
NS00023906
Methyl 1H-indole-2-carboxylate
NSC 78006
EINECS 214-861-7
SCHEMBL519591
Q63398093
1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
HMS1534A20
AT15691
1H-Indole-2-carboxylic acid, methyl ester
AC-12173

MDL Number

MFCD00460779

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6)?

Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6) is a solid with a crystalline form. It has a molecular weight of approximately 158.19 g/mol and is slightly soluble in water. This compound is reactive, particularly towards nucleophiles. It is used in various organic reactions due to its functional groups.

How is Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6) typically synthesized?

Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6) can be synthesized via the reaction of indole with acetyl chloride in the presence of a base like triethylamine. The reaction is typically carried out at room temperature, and the yield is about 75-80%. This method provides a good level of selectivity for the carboxylation of the indole ring.

What industries use Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6)?

Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6) is used in pharmaceuticals for the synthesis of certain drugs due to its functional groups. It also finds applications in the production of dyes, polymers, and as a precursor in the development of organic electronic devices such as organic semiconductors and sensors.

What precautions should be taken when handling Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6)?

When handling Methyl 1H-indole-2-carboxylate (CAS: 1202-04-6), it is important to use personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a well-ventilated area away from ignition sources. In case of a spill, it should be handled with care, and the area should be cleaned with an appropriate solvent. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.