Methyl 4-hydroxy-1H-indole-6-carboxylate

Basic Information

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CAS Number

77140-48-8

Molecular Formula

C10H9NO3

Molecular Weight

191.19 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

148-149 ºC (dichloromethane )

Boiling Point

435.5°C at 760 mmHg

Density

1.383±0.06 g/cm3 (20 ºC 760 Torr),

Water Solubility

Slightly soluble in water (2.5 g/L) (25°C).

SMILES

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COC(=O)C1=CC2=C(C=CN2)C(=C1)O

InChI

InChI=1S/C10H9NO3/c1-14-10(13)6-4-8-7(2-3-11-8)9(12)5-6/h2-5,11-12H,1H3

InChIKey

YCLHTEHHXRJHKC-UHFFFAOYSA-N

LogP

1.6601

Topological Polar Surface Area

62.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

231

Safety Information

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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

Synonyms & References

English

SCHEMBL3578888
Methyl 4-hydroxyindole-6-carboxylate
4-HYDROXY-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER
FS-3753
AMY7365
4-Hydroxy-6-methoxycarbonyl indole
1H-Indole-6-carboxylic acid, 4-hydroxy-, methyl ester
A865353
SY018566
AKOS006240491
DTXSID50545779
Methyl 4-hydroxy-1H-indole-6-carboxylate
SB14878
CS-W006867
FT-0693559
A1-04771
Methyl4-hydroxy-1H-indole-6-carboxylate
MFCD04973985
4-hydroxy-6-methoxycarbonyl indole, AldrichCPR
YCLHTEHHXRJHKC-UHFFFAOYSA-N
DS-2775
77140-48-8
4-Hydroxy-1H-indole-6-carboxylic acid methyl ester
4-Hydroxy-6-indole carboxylic acid methyl ester
4-Hydroxy-6-Methoxycarbonyl Indole
methyl 4-hydroxy-1H-indole-6-carboxylate

MDL Number

MFCD04973985

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8)?

Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which covers safety data sheets (SDS) and hazard communication. In Europe, it is also governed by REACH regulations. For FDA and EPA requirements, it is classified as a chemical under general toxicological and environmental regulations. Proper storage, handling, and disposal must comply with these guidelines to ensure safety and environmental protection.

Are there alternatives to Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8) in synthesis?

Several alternatives to Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8) exist in synthesis. These include methyl 3-hydroxy-1H-indole-6-carboxylate and methyl 5-hydroxy-1H-indole-6-carboxylate, which can serve similar functions depending on the reaction conditions. Other reagents like methyl 4-hydroxy-2H-indole-6-carboxylate or substituted indoles might also be viable alternatives, providing researchers with flexibility in their synthetic approaches.

What is the market or research trend for Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8)?

The market for Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8) is driven by its use in pharmaceuticals and agrochemicals. Recent research trends focus on its application in developing new drugs and pesticides due to its structural properties. Additionally, there is growing interest in its use as a precursor for natural product synthesis and as a functional group in medicinal chemistry. Market dynamics indicate a steady demand, with potential for growth in emerging applications.

How should waste containing Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8) be handled?

Waste containing Methyl 4-hydroxy-1H-indole-6-carboxylate (CAS: 77140-48-8) should be collected in lined containers and stored properly to prevent environmental contamination. Incineration or professional waste disposal services are recommended for disposal. Ensure that all safety precautions and regulatory guidelines are followed. Environmental protection measures include regular monitoring of the waste storage area and proper documentation of disposal methods to comply with local and international regulations.