(S,E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-Methoxy-3-oxopropylthio)Methylthio)propanoic acid

Base Information

• Chemical Name: (S,E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-Methoxy-3-oxopropylthio)Methylthio)propanoic acid
• CAS No.: 120385-98-0
• Molecular Formula: C₂₅H₂₄ClNO₄S₂
• Molecular Weight: 502.055
• Mol file: 120385-98-0.mol

Synonyms:(S)-3-(((3-(2-(7-chloroquinolin-2-yl)-(E)-ethenyl)phenyl)((3-methoxy-3-oxopropyl)thio)methyl)thio)propionic acid

Chemical Property of (S,E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-Methoxy-3-oxopropylthio)Methylthio)propanoic acid

Chemical Property:

• Boiling Point: 684.2±55.0 °C(Predicted)
• PKA: 4.27±0.10(Predicted)
• Density: 1.354±0.06 g/cm3(Predicted)

Purity/Quality:

[S-(E)]-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoicAcid1-MethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate in the preparation of Verlukast (V128500).

Technology Process of (S,E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-Methoxy-3-oxopropylthio)Methylthio)propanoic acid

There total 3 articles about (S,E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-Methoxy-3-oxopropylthio)Methylthio)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

dimethyl 5-<3-<2-(7-chloro-2-quinolinyl)-(E)-ethenyl>phenyl>-4,6-dithianonanedioate (120385-96-8) → (S)-3-(((3-(2-(7-chloroquinolin-2-yl)-(E)-ethenyl)phenyl)((3-methoxy-3-oxopropyl)thio)methyl)thio)propionic acid (120385-98-0) + 5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-4,6-DITHIANONANEDIOIC ACID (120386-00-7)

Guidance literature:

With water; Triton X-100; at 40 ℃; Kinetics; lipase, phosphate buffer, pH = 7.5;

DOI:10.1021/jo00042a040

Reference yield:

C41H42ClNO4S2Si → (S)-3-(((3-(2-(7-chloroquinolin-2-yl)-(E)-ethenyl)phenyl)((3-methoxy-3-oxopropyl)thio)methyl)thio)propionic acid (120385-98-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at -5 ℃; for 1h; Yield given;

DOI:10.1021/jm00172a025

Reference yield:

dimethyl 5-<3-<2-(7-chloro-2-quinolinyl)-(E)-ethenyl>phenyl>-4,6-dithianonanedioate (120385-96-8) → (S)-3-(((3-(2-(7-chloroquinolin-2-yl)-(E)-ethenyl)phenyl)((3-methoxy-3-oxopropyl)thio)methyl)thio)propionic acid (120385-98-0)

Guidance literature:

In water; at 37 ℃; for 336h; Yield given; Pseudomonas sp. lipase, Triton X-100, Na₂HPO₄, H₃PO₄, pH 7.5;

DOI:10.1021/jo00313a010

upstream raw materials:

dimethyl 5-<3-<2-(7-chloro-2-quinolinyl)-(E)-ethenyl>phenyl>-4,6-dithianonanedioate

Downstream raw materials:

(S)-3-(((3-(2-(7-chloroquinolin-2-yl)-(E)-ethenyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)propionic acid methyl ester

verlukast

(+)-MK-571

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