3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione | CAS No. 1162120-35-5

3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione

Basic Information

CAS Number

1162120-35-5

Molecular Formula

C17H14ClNO3

Molecular Weight

315.76 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (3.5E-3 g/L) (25 ºC),

CN1CC(=O)C(C1=O)c2cc(ccc2Oc3ccccc3)Cl

InChI

InChI=1S/C17H14ClNO3/c1-19-10-14(20)16(17(19)21)13-9-11(18)7-8-15(13)22-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3

InChIKey

LAXTYFZLKJOGDP-UHFFFAOYSA-N

LogP

3.2570000000000014

Topological Polar Surface Area

46.61 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

436

Synonyms & References

English

  • 3-(5-Chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione
  • 3-(5-chloro-2-phenoxyphenyl)-1-methyl-2,4-Pyrrolidinedione
  • LAXTYFZLKJOGDP-UHFFFAOYSA-N
  • BCP12363
  • 2667AA
  • AK102218
  • AX8233757
  • 2,4-Pyrrolidinedione,3-(5-chloro-2-phenoxyphenyl)-1-methyl-

MDL Number

MFCD18207045

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione (CAS: 1162120-35-5)?

3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione is a crystalline compound with a molecular weight of approximately 336.2 g/mol. It has a low solubility in water but good solubility in organic solvents like ethanol and acetone. This compound is moderately reactive, showing limited reactivity towards nucleophiles but can undergo substitution reactions under certain conditions. Its physical properties include a melting point of around 130-132°C.

How is 3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione (CAS: 1162120-35-5) typically synthesized?

3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione can be synthesized through a multi-step process involving arylation and subsequent pyrrolidinedione formation. Typically, the key steps include the arylation of 2-phenoxyphenol with a chlorobenzene derivative, followed by coupling with a pyrrolidine ring forming agent. The reaction is usually facilitated by a palladium-based catalyst and proceeds with good selectivity and yield, reaching approximately 85%.

What industries use 3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione (CAS: 1162120-35-5)?

3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione finds applications in various industries. It is predominantly used in pharmaceuticals for its potential anti-inflammatory and analgesic properties. Additionally, it is used in the development of sensor technologies and as a precursor in the synthesis of other compounds. Its use in polymers and semiconductors is also being explored due to its chemical structure and reactivity.

What precautions should be taken when handling 3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione (CAS: 1162120-35-5)?

When handling 3-(5-Chloro-2-phenoxyphenyl)-1-methyl-2,4-pyrrolidinedione, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it is recommended to use absorbent materials and handle with care to avoid skin contact. It is essential to consult the safety data sheet (SDS) for detailed emergency procedures and storage recommendations.

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