Montelukast Sulfoxide(Mixture of diastereomers)

Base Information

• Chemical Name: Montelukast Sulfoxide (Mixture of diastereomers)
• CAS No.: 909849-96-3
• Molecular Formula: C₃₅H₃₆ClNO₄S
• Molecular Weight: 602.194
• Mol file: 909849-96-3.mol

Synonyms:1-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]-cyclopropaneacetic Aci;Montelukast Sulfoxide(Mixture of diastereomers);1-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]-cyclopropaneacetic Acid;Montelukast Sulfoxide;Montelukast M2;Montelukast Sulfoxide IMpurity-A;Montelukast EP IMpurity C;Montelukast Sulfoxide (Mixtuture of DiastereoMers)

Chemical Property of Montelukast Sulfoxide(Mixture of diastereomers)

Chemical Property:

• Vapor Pressure: 2.44E-28mmHg at 25°C
• Melting Point: 95-97°C
• Boiling Point: 818.5°C at 760 mmHg
• Flash Point: 448.8°C
• PSA: 106.70000
• Density: 1.319
• LogP: 8.82920
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

Montelukast Sulfoxide| ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Montelukast Sulfoxide (Montelukast EP Impurity C; Montelukast USP Related Compound A; Montelukast Sulfoxid) is a metabolite of Montelukast.

Technology Process of Montelukast Sulfoxide(Mixture of diastereomers)

There total 16 articles about Montelukast Sulfoxide(Mixture of diastereomers) 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:

Montelukast sodium (151767-02-1) → [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]-phenyl]-3-[2-(-hydroxy-1-methylethyl) phenyl]propyl]-sulfinyl] methyl] cyclopropaneacetic acid (909849-96-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid; In dichloromethane; at -22 ℃; for 2h; Yield given;

DOI:10.1021/jo9615817

Reference yield:

(S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol (287930-77-2) → [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]-phenyl]-3-[2-(-hydroxy-1-methylethyl) phenyl]propyl]-sulfinyl] methyl] cyclopropaneacetic acid (909849-96-3)

Guidance literature:

Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / toluene; acetonitrile / 3.83 h / -15 - -13 °C / Inert atmosphere; Large scale reaction

2: sodium t-butanolate / tetrahydrofuran; toluene / -10 - 21 °C / Inert atmosphere; Large scale reaction

3: dihydrogen peroxide / methanol; water / 3 h

With dihydrogen peroxide; N-ethyl-N,N-diisopropylamine; sodium t-butanolate; In tetrahydrofuran; methanol; water; toluene; acetonitrile;

DOI:10.1021/op900311z

Reference yield:

(S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl acetate (1197374-09-6) → [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]-phenyl]-3-[2-(-hydroxy-1-methylethyl) phenyl]propyl]-sulfinyl] methyl] cyclopropaneacetic acid (909849-96-3)

Guidance literature:

Multi-step reaction with 7 steps

1.1: water; sodium hydroxide / tetrahydrofuran; methanol / 25 - 30 °C

2.1: hydrogenchloride / water; ethyl acetate / 25 - 30 °C

3.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 25 - 30 °C

3.2: 1 h / 0 - 5 °C

4.1: sodium methylate / methanol; N,N-dimethyl-formamide / 0 - 5 °C

5.1: ethyl acetate / 25 - 30 °C

6.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 25 - 30 °C

7.1: sulfuric acid; water / 5 - 10 °C

With hydrogenchloride; sulfuric acid; water; sodium methylate; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

Montelukast sodium

(S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

2-[2-[3(S)-[3-[(1E)-2-(7-chloroquinoline-2-yl)ethenyl]phenyl]-3-methanesulfonyloxypropyl]phenyl]-2-propanol

[R-(E)]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-[1-(1-methyl)ethenyl]phenyl]propyl]thio]methyl]cyclopropaneacetic acid

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