Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate

Basic Information

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CAS Number

143878-29-9

Molecular Formula

C12H12ClNO4

Molecular Weight

269.68 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

492.0±45.0°C at 760 mmHg

Density

1.400±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(=O)NC1=C(C=C(C2=C1CCO2)C(=O)OC)Cl

InChI

InChI=1S/C12H12ClNO4/c1-6(15)14-10-7-3-4-18-11(7)8(5-9(10)13)12(16)17-2/h5H,3-4H2,1-2H3,(H,14,15)

InChIKey

LCPRNYGRYCDBOM-UHFFFAOYSA-N

LogP

2.0199

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

349

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 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate
Methyl 4-(acetylamino)-5-chloro-2,3-dihydrobenzofuran-7-carboxylate.
methyl 4-acetamido-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
Methyl 4-(acetylamino)-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
Methyl 4-acetamido-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylate
LCPRNYGRYCDBOM-UHFFFAOYSA-N
Methyl 4-(acetylamino)-5-chloro-2,3-dihydrobenzofuran-7-carboxylate
7068AA
VZ32631
AX8237404
ST24047886
methyl 5-chloro-4-acetamido-2,3-dihydro-1-benzofuran-7-carboxylate
AC-29986
Methyl4-(acetylaMino)-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
METHYL 5-CHLORO-4-ACETAMIDO-2,3-DIHYDRO-1-BENZOFURAN-7-CARBOXYLATE
DS-18454
MFCD22381061
AKOS016006851
DA-10277
CS-0153986
143878-29-9
SCHEMBL6600592
DTXSID90442854
GT84SS9RHM
Methyl4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate
7-Benzofurancarboxylic acid, 4-(acetylamino)-5-chloro-2,3-dihydro-, methyl ester

MDL Number

MFCD22381061

FAQ

What are the physical and chemical properties of Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate (CAS: 143878-29-9)?

Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate is a white crystalline solid. Its molecular weight is approximately 324.03 g/mol. The compound is slightly soluble in water but soluble in common organic solvents such as ethanol and acetone. It is moderately reactive towards nucleophiles and can undergo various transformations in organic synthesis. It has a pKa of around 4.5, indicating it can act as a weak acid.

How is Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate (CAS: 143878-29-9) typically synthesized?

Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate is typically synthesized by reacting 5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid with acetamide in the presence of a coupling agent like 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) and N-hydroxysuccinimide (NHS). The reaction is conducted at room temperature and yields a product with a high degree of purity. Selectivity and yield are around 90%.

What industries use Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate (CAS: 143878-29-9)?

Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the polymer industry for creating specialty polymers with specific properties. Additionally, it has potential applications in the sensor and semiconductor industries due to its unique chemical structure.

What precautions should be taken when handling Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate (CAS: 143878-29-9)?

When handling Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up with appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.