Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate

Basic Information

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CAS Number

23405-32-5

Molecular Formula

C10H8O4

Molecular Weight

192.17 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

Boiling Point

399.127°C at 760 mmHg

SMILES

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COC(=O)C1=CC2=C(C=C1)C(=O)OC2

InChI

InChI=1S/C10H8O4/c1-13-9(11)6-2-3-8-7(4-6)5-14-10(8)12/h2-4H,5H2,1H3

InChIKey

DEVJBGUKNZVBFW-UHFFFAOYSA-N

LogP

1.1436

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

261

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl phthalide-5-carboxylate
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, methyl ester
Methyl 1-oxo-1,3-dihydroisobenzofuran-5-carboxylate
23405-32-5
DEVJBGUKNZVBFW-UHFFFAOYSA-N
YAA40532
Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate
D70699
MFCD11046461
DTXSID80632707
A924140
SCHEMBL3029409
5-carbomethoxyphthalide
DS-3726
Methyl1-oxo-1,3-dihydroisobenzofuran-5-carboxylate
METHYL 1-OXO-3H-2-BENZOFURAN-5-CARBOXYLATE
AKOS006306843
5-CARBOMETHOXYPHTHALIDE
methyl 1-oxo-3H-2-benzofuran-5-carboxylate
1-oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid methyl ester
1-Oxo-phthalan-5-carbonsaeure-methylester
1-oxo-phthalan-5-carboxylic acid methyl ester
5-Carbomethoxy-phthalid
methyl 1-oxo-1,3-dihydro-5-isobenzofurancarboxylate
5-Phthalancarboxylicacid, 1-oxo-, methyl ester (8CI)
5-Methoxycarbonylphthalide
FCH887488
1554AB
AK107976
AX8243151
405C325

MDL Number

MFCD11046461

Customs Code

2932999099

FAQ

What regulatory guidelines apply to Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS: 23405-32-5)?

Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS 23405-32-5) falls under the scope of several regulatory guidelines. It must comply with the REACH regulations, particularly for the identification, labeling, and safety assessment. Additionally, it should adhere to the GHS classification as per the United Nations. In the US, it is also subject to FDA and EPA regulations for use and disposal. Proper documentation and handling protocols should be followed to ensure compliance with all applicable laws and regulations.

Are there alternatives to Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS: 23405-32-5) in synthesis?

There are several alternatives to Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS 23405-32-5) that can be used in synthesis. Common alternatives include other carboxylic acid derivatives, such as ethyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate or methyl 1-oxo-1,3-dihydro-2-benzofuran-4-carboxylate. These can be synthesized using similar methods and may offer advantages in terms of reactivity or availability. Care should be taken to evaluate the specific needs of the synthesis to choose the most suitable alternative.

What is the market or research trend for Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS: 23405-32-5)?

Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS 23405-32-5) is currently experiencing growing interest in both market and research fields. There is an increasing demand in pharmaceutical and chemical industries due to its potential applications in drug discovery and development. Research trends are focusing on its use as a precursor in organic synthesis and as a building block for complex molecules. Market analysis indicates steady growth driven by its versatility and unique chemical properties.

How should waste containing Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS: 23405-32-5) be handled?

Waste containing Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS 23405-32-5) should be managed according to the applicable regulations. Waste should be collected in appropriate containers and stored safely to prevent leaks or spills. For disposal, incineration is commonly used, but professional waste disposal services should be considered for larger quantities or when special handling is required. Environmental protection measures include ensuring proper air pollution control during incineration and safe transportation to disposal facilities. Compliance with local, state, and federal regulations is essential for safe waste management.