Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate | CAS No. 133791-17-0

Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate

Basic Information

CAS Number

133791-17-0

Molecular Formula

C31H24ClNO3S

Molecular Weight

526.05 g/mol

AD

Basic Physical Properties

Boiling Point

659.7±55.0 °C(Predicted)

Density

1.271±0.06 g/cm3(Predicted)

COC(=O)c1ccccc1CCC(=O)c1cccc(c1)C(c1ccc2c(n1)cc(cc2)Cl)c1cccs1

InChI

InChI=1S/C31H24ClNO3S/c1-36-31(35)25-9-3-2-6-20(25)13-16-28(34)22-7-4-8-23(18-22)30(29-10-5-17-37-29)26-15-12-21-11-14-24(32)19-27(21)33-26/h2-12,14-15,17-19,30H,13,16H2,1H3

InChIKey

DQMBOQPCRMUNIK-UHFFFAOYSA-N

LogP

7.732000000000006

pKa

2.87±0.61(Predicted)

Topological Polar Surface Area

56.260000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • METHYL 2-(3-(3-(2-(7-CHLORO-2-QUINELINYLETHENYL)-PHENYL-3-OXOPROPYL
  • Methyl-2-[3-[3-[3-(7-Chloroquinoline-2-yl) Ethenyl] Phenyl]-3-Oxopropyl] Benzoate
  • BENZOIC ACID,2-[3-[3-[2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]-3-OXOPROPYL]-,MET
  • 2-(3-(3-[2-(7-Chloro-2-Quinolinyl)]Ethenyl)-3-Oxopropyl)BenzoicAcidMethylEster
  • 2-(3-(3-2-(7-Chloro-2-quinolinyl)ethyl)phenyl)-3-oxopropylbenzoicacidmethylester
  • METHYL [E]-2-[3-[3-[2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]-3-OXOPROPYL]BENZOATE
  • Methyl1-[E]-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoatte
  • (E)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate
  • Methyl 2-(3-(3-((7-chloroquinolin-2-yl)(thiophen-2-yl)methyl)phenyl)-3-oxopropyl)benzoate
  • 2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester
  • Benzoic acid 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-(3-carbonyl) propyl)-methyl ester
  • Benzoic acid, 2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester
  • Methyl-[E]-2-[3-[3-[2-(7- chloro-2-quinolinyl)-ethenyl]-phenyl] -3-oxo-propyl]-benzoate

MDL Number

MFCD08063844

FAQ

What are the physical and chemical properties of Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate (CAS: 133791-17-0)?

Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate is a crystalline compound with a molecular weight of approximately 543.3 g/mol. It has a low water solubility and is moderately soluble in organic solvents. The compound exhibits minimal reactivity under normal conditions but may undergo degradation under strong acidic or basic conditions. It is stable to heat and light exposure.

How is Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate (CAS: 133791-17-0) typically synthesized?

Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate is synthesized through a multi-step process involving the coupling of 7-chloroquinoline with a vinyl derivative followed by a reaction with benzyl chloride. The synthesis typically requires the use of palladium catalysts and involves protecting groups to achieve high selectivity and yield.

What industries use Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate (CAS: 133791-17-0)?

Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate is used primarily in the pharmaceutical industry for its potential as an intermediate in the synthesis of drugs targeting specific receptor pathways. It also shows promise in the development of new materials for sensors and semiconductors.

What precautions should be taken when handling Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate (CAS: 133791-17-0)?

When handling Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a fume hood to minimize inhalation exposure. In case of a spill, it is recommended to use absorbent materials and consult the Safety Data Sheet (SDS) for specific clean-up procedures.

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