2,3-Dihydro-1-benzofuran-5-ylacetic acid

Basic Information

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CAS Number

69999-16-2

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 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

105.0 to 109.0 deg-C

Boiling Point

345.8℃ at 760 mmHg

SMILES

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C1COC2=C1C=C(C=C2)CC(=O)O

InChI

InChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)

InChIKey

LALSYIKKTXUSLG-UHFFFAOYSA-N

LogP

1.2486000000000002

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

202

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

Synonyms & References

English

MFCD01941301
D4270
2,3-dihydrobenzofuran-5-acetic acid
69999-16-2
AC-341
2,3-dihydro-5-benzofuranacetic acid, AldrichCPR
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
2,3-dihydro-5-benzofuranyl acetic acid
UNII-LJC7B2CBF2
EN300-26110
5-Benzofuranacetic acid, 2,3-dihydro-
BCP11385
LJC7B2CBF2
FS-1726
(2,3-Dihydro-1-benzofuran-5-yl)acetic acid
Z220565334
F10315
2,3-Dihydrobenzofuranyl-5-aceticacid
(2,3-dihydrobenzofuran-5-yl)acetic acid
AKOS000117915
PD065504
5-Coumaranacetic Acid
2,3-Dihydrobenzofuranacetic acid
SCHEMBL1403662
DTXSID00372077
CS-M0929
2,3-dihydrobenzofuran-5-ylacetic acid
(2,3-dihydro-benzofuran-5-yl)-acetic acid
2-(2,3-dihydrobenzofuran-5-yl)acetic Acid
(2,3-dihydro-5-benzofuranyl)acetic acid
2,3-dihydro-5-benzofuranacetic acid

MDL Number

MFCD01941301

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2,3-Dihydro-1-benzofuran-5-ylacetic acid (CAS: 69999-16-2)?

2,3-Dihydro-1-benzofuran-5-ylacetic acid is a white or off-white crystalline solid with a molecular weight of approximately 248.24 g/mol. It has a slight pungent odor. This compound is soluble in ethanol, chloroform, and methanol but poorly soluble in water. It is an electrophilic compound and exhibits moderate reactivity under basic conditions, making it suitable for various synthetic transformations. The compound can form anhydrous crystalline forms and has a melting point around 215-217°C.

How is 2,3-Dihydro-1-benzofuran-5-ylacetic acid (CAS: 69999-16-2) typically synthesized?

2,3-Dihydro-1-benzofuran-5-ylacetic acid can be synthesized through a multi-step process involving the condensation of an appropriate aromatic compound with acetic anhydride. A typical synthesis involves the reaction of 5-benzofuranone with acetic anhydride in the presence of an acid catalyst, such as sulfuric acid. The product is then isolated by recrystallization from an appropriate solvent. The yield is generally around 75-85%, with high selectivity and purity.

What industries use 2,3-Dihydro-1-benzofuran-5-ylacetic acid (CAS: 69999-16-2)?

2,3-Dihydro-1-benzofuran-5-ylacetic acid is used in various industries due to its versatile chemical properties. It is primarily used in the pharmaceutical sector for the synthesis of certain drug intermediates. Additionally, it finds applications in the development of sensors for detecting specific analytes, as well as in the production of certain polymers and materials. Its use in semiconductors and electronic devices is also being explored for its potential in organic electronics.

What precautions should be taken when handling 2,3-Dihydro-1-benzofuran-5-ylacetic acid (CAS: 69999-16-2)?

When handling 2,3-Dihydro-1-benzofuran-5-ylacetic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it is recommended to use absorbent materials and dispose of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information. This compound is not reactive under normal conditions but should be handled with care to avoid inhaling dust or fumes.