Methyl 2,3-dihydrobenzofuran-5-carboxylate

Basic Information

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CAS Number

588702-80-1

Molecular Formula

C10H10O3

Molecular Weight

178.19 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=CC2=C(C=C1)OCC2

InChI

InChI=1S/C10H10O3/c1-12-10(11)8-2-3-9-7(6-8)4-5-13-9/h2-3,6H,4-5H2,1H3

InChIKey

QPGLJPYOFQPEEE-UHFFFAOYSA-N

LogP

1.4081

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

202

Synonyms & References

English

Methyl 2,3-dihydrobenzofuran-5-carboxylate
2,3-dihydro-5-Benzofurancarboxylic acid methyl ester
Methyl 2,3-dihydrobenzo[b]furan-5-carboxylate
METHYL 2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLATE
HMS1528K01
methyl 2,3-dihydro-1-benzofuran-5-carboxylate
5-Benzofurancarboxylic acid, 2,3-dihydro-, methyl ester
Maybridge4_002685
QPGLJPYOFQPEEE-UHFFFAOYSA-N
SBB089403
6231AE
IDI1_032563
SY004323
Methyl2,3-Dihydrobenzofura
2,3-Dihydro-benzofuran-5-carboxylic acid methyl ester
FS-2050
SCHEMBL3490016
Methyl 2,3-Dihydro-benzofuran-5-carboxylate
methyl 2,3-dihydrobenzofuran-5-carboxylate
Methyl2,3-Dihydro-benzofuran-5-carboxylate
methyl 2,3-dihydrobenzo[b]furan-5-carboxylate
SB37809
2,3-Dihydrobenzofuran-5-carboxylic acid methyl ester
MFCD00114411
DTXSID20384894
Methyl2,3-Dihydrobenzofuran-5-carboxylate
AKOS004115505
588702-80-1
A869339
DB-014469

MDL Number

MFCD00114411

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1)?

Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1) is a white crystalline solid with a molecular weight of approximately 217.23 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive than carboxylic acids but can undergo typical carboxylic acid reactions such as esterification and ester hydrolysis. It exhibits moderate acidity and can form salts with bases.

How is Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1) typically synthesized?

Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1) can be synthesized via the condensation of methyl 2,3-dihydrobenzofuran-5-carboxylic acid chloride with an amine in the presence of a base. Alternatively, it can be obtained by the reaction of methyl 2,3-dihydrobenzofuran-5-carboxylic acid with an alcohol in the presence of a acid catalyst, yielding an ester. The yield is generally around 70-80%.

What industries use Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1)?

Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1) is used in various industries, particularly in the pharmaceutical and chemical sectors. It serves as a key intermediate in the synthesis of pharmaceuticals, where its chemical properties facilitate the creation of more complex molecules. It is also utilized in the production of certain polymers and as a component in sensor technology and semiconductor manufacturing, owing to its functional groups that can participate in various chemical reactions.

What precautions should be taken when handling Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1)?

When handling Methyl 2,3-dihydrobenzofuran-5-carboxylate (CAS: 588702-80-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin and eye contact. Work in a well-ventilated area or fume hood to minimize inhalation exposure. Spills should be cleaned up using appropriate absorbent materials and the area thoroughly rinsed with water. Always refer to the material safety data sheet (MSDS) for detailed safety information and follow all recommended safety procedures.