L 768232

Base Information

• Chemical Name: L 768232
• CAS No.: 190078-45-6
• Molecular Formula: C35H35ClNNaO3S
• Molecular Weight: 608.177
• Mol file: 190078-45-6.mol

Synonyms:Cyclopropaneaceticacid,1-[[[(1S)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-,monosodium salt (9CI);Cyclopropaneacetic acid,1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-,monosodium salt, [S-(E)]-;L 768232;

Chemical Property of L 768232

Chemical Property:

• Melting Point: 92-95°C
• PSA: 98.55000
• LogP: 7.61330
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly), Water (Slightly)

Purity/Quality:

99%min ^*data from raw suppliers

ent-MontelukastSodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: ent-Montelukast Sodium Salt (Montelukast EP Impurity A) is the S-enantiomer of Montelukast. Results indicate that there is no apparent bioinversion of Montelukast to its S-enantiomer in humans. The S-enantiomer of Montelukast. Results indicate that there is no apparent bioinversion of Montelukast to its S-enantiomer in humans.

Technology Process of L 768232

There total 13 articles about L 768232 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:

sodium hydroxide (1310-73-2) + (R,E)-(1-{1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid (220927-27-5) → [S,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid sodium salt (190078-45-6)

Guidance literature:

In methanol; toluene; for 0.25h; Argon atmosphere;

Reference yield:

S-Montelukast MPPA salt → [S,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid sodium salt (190078-45-6)

Guidance literature:

S-Montelukast MPPA salt; With acetic acid; In dichloromethane; water; for 0.5h; pH=3.5 - 4;

With sodium hydroxide; In ethanol; dichloromethane; water; at 25 - 30 ℃; for 0.5h;

Reference yield:

(S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl acetate (1197374-09-6) → [S,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid sodium salt (190078-45-6)

Guidance literature:

Multi-step reaction with 8 steps

1.1: water; sodium hydroxide / tetrahydrofuran; methanol / 2 h / 25 - 30 °C

2.1: hydrogenchloride / water / 25 - 30 °C / pH 6.5 - 7

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

3.2: 1.5 h / 0 - 5 °C

4.1: n-butyllithium / tetrahydrofuran; hexane / -15 - 0 °C / Inert atmosphere

4.2: 19 h / -5 - 2 °C / Inert atmosphere

5.1: ethyl acetate / 15 h / 25 - 30 °C / Inert atmosphere

6.1: sulfuric acid; water / 2 h / 0 - 10 °C / Inert atmosphere

7.1: ethyl acetate / 18 h / 25 - 30 °C / Inert atmosphere

8.1: acetic acid / dichloromethane; water / 0.5 h / pH 3.5 - 4

8.2: 0.5 h / 25 - 30 °C

With hydrogenchloride; n-butyllithium; sulfuric acid; water; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrahydrofuran; methanol; hexane; dichloromethane; water; ethyl acetate;

upstream raw materials:

sodium hydroxide

(R,E)-(1-{1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid

(S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl acetate

1R-{(3-[(E)-2-(7-chloroquinolin-2-yl) vinyl] phenyl)}-3-[2-(prop-1-en-2-yl) phenyl] propan-1-ol

Refernces

• 1、 -. "SALT OF MONTELUKAST WITH TERT.-BUTYLAMINE". Page/Page column 26. . Retrieved 2008/06/13.