Methyl 3-oxoisoindoline-4-carboxylate

Basic Information

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CAS Number

935269-25-3

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

SMILES

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COC(=O)C1=CC=CC2=C1C(=O)NC2

InChI

InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-11-9(12)8(6)7/h2-4H,5H2,1H3,(H,11,12)

InChIKey

XWWXOIXNLPEQDH-UHFFFAOYSA-N

LogP

0.7165999999999999

Topological Polar Surface Area

55.400000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

264

Synonyms & References

English

Methyl 3-oxoisoindoline-4-carboxylate
3-Oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester
methyl 3-oxo-1,2-dihydroisoindole-4-carboxylate
Methyl 2,3-dihydro-3-oxo-1H-isoindole-4-carboxylate (ACI)
BS-49507
CS-0169328
1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
AKOS006323135
Methyl 3-oxo-2,3-dihydro-1H-isoindole-4-carboxylate
MFCD11506113
SB40068
methyl 3-oxoisoindoline-4-carboxylate
F13612
Methyl3-oxoisoindoline-4-carboxylate
DTXSID00659557
BDBM50264658
DB-079602
CHEMBL473040
SCHEMBL5333318
3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID METHYL ESTER
935269-25-3

MDL Number

MFCD11506113

FAQ

What regulatory guidelines apply to Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3)?

Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3) is subject to the REACH regulations in the European Union for classification and labeling of chemicals. It also requires adherence to GHS (Globally Harmonized System of Classification and Labeling of Chemicals) standards for safety data sheets and labeling. The FDA and EPA may have specific handling and reporting requirements for this compound, particularly in the context of pharmaceutical and industrial applications.

Are there alternatives to Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3) in synthesis?

Several alternatives can be used in the synthesis of Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3), including isomers such as 3-phenylisoindoline-4-carboxylic acid and other carboxylic acids. Common alternative reagents include methanol, ethanol, and other alcohols. These alternatives can offer similar or improved functional properties, making them suitable for various applications.

What is the market or research trend for Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3)?

The market for Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3) is showing steady growth, particularly in pharmaceutical and research sectors due to its unique chemical structure. Research trends indicate increasing interest in its use as an intermediate in drug synthesis and as a novel material for various applications. Market trends suggest a potential for price stability with increasing demand from emerging markets.

How should waste containing Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3) be handled?

Waste containing Methyl 3-oxoisoindoline-4-carboxylate (CAS: 935269-25-3) should be collected in appropriate containers and stored in a secure area. Incineration is a common method for disposal, but professional waste disposal services should be utilized for safe and compliant handling. Environmental protection measures include ensuring no spills occur and proper labeling of waste containers to prevent accidental exposure. Compliance with local and international regulations is essential for proper waste management.