Methyl 1H-indol-3-ylacetate

Basic Information

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CAS Number

1912-33-0

Molecular Formula

C11H11NO2

Molecular Weight

189.21 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

49.0 to 53.0 deg-C

Boiling Point

160°C/0.5mmHg

Flash Point

160.5℃

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.622

SMILES

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COC(=O)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3

InChIKey

KTHADMDGDNYQRX-UHFFFAOYSA-N

LogP

1.8833999999999997

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

thermally sensitive

Synonyms & References

English

Methyl beta -indolylacetate
(1H-INDOL-3-YL)ACETIC ACID METHYL ESTER
Methyl 1H-indole-3-acetate
(1H-indol-3-yl)-acetic acid methyl ester
methyl IAA
CHEMBL4529044
3-Indoleacetic acid methyl ester
DTXSID40172639
Z18279395
Q27140143
30TIF5OY0K
NS00014874
1H-Indole-3-aceticacid,methyl ester
SCHEMBL584367
NSC-63806
INDOLE-3-ACETIC ACID METHYLESTER
s6280
Methyl .beta.-indolylacetate
beta -indolylacetic acid methyl ester
FT-0671862
C20635
Indole-3-methyl acetate
CS-W015940
Methyl 1H-indol-3-ylacetate
Methyl 1H-indol-3-ylacetate #
Methyl indol-3-ylacetate
NSC63806
Methyl indole-3-acetate
IAA methyl ester
Methyl .beta.-indoleacetate
Methyl beta-indolylacetate

MDL Number

MFCD00022749

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0)?

Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0) is a crystalline solid with a molecular weight of approximately 184.26 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It is moderately reactive, particularly towards nucleophiles and bases.

How is Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0) typically synthesized?

Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0) is typically synthesized via a condensation reaction between indole and acetic anhydride. The reaction is catalyzed by an acid, such as sulfuric acid, and proceeds with moderate to good yield. Selectivity is high, and the product is purified by recrystallization.

What industries use Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0)?

Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring indole derivatives. It is also utilized in the sensor technology sector for developing chemical sensors and in the semiconductor industry for specific applications requiring indole-based materials.

What precautions should be taken when handling Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0)?

When handling Methyl 1H-indol-3-ylacetate (CAS: 1912-33-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The substance should be used in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.