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Home > Encyclopedia > Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate structure

Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate 

structure
  • CAS No:

    149968-11-6

  • Formula:

    C28H22ClNO3

  • Chemical Name:

    Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

  • Synonyms:

    Benzoic acid,2-[3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-,methyl ester;Benzoic acid,2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-,methyl ester,(E)-;Methyl (E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate;Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate;1254571-43-1

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate Basic Attributes

455.93

455.93

604-713-3

Characteristics

1.271

659.7±55.0 °C(Predicted)

2.07±0.61

Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate Use and Manufacturing

An intermediate in the synthesis of Montelukast.

Computed Properties

Molecular Weight:455.9
XLogP3:6.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:455.1288213
Monoisotopic Mass:455.1288213
Topological Polar Surface Area:56.3
Heavy Atom Count:33
Complexity:695
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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