Montelukast, (S)-

Base Information

Chemical Name:Montelukast, (S)-
CAS No.:220927-27-5
Molecular Formula:C₃₅H₃₆ClNO₃S
Molecular Weight:586.195
Hs Code.:
UNII:H28ST60VMZ
Wikidata:Q27279549
ChEMBL ID:CHEMBL1555552

Synonyms:Montelukast, (S)-;H28ST60VMZ;220927-27-5;(S)-montelukast;UNII-H28ST60VMZ;Montelukast sodium specified impurity A [EP];(1-((((1S)-1-(3-((E)-2-(7-Chloroquinolin-2-yl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetic acid;Cyclopropaneacetic acid, 1-((((1S)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-;CHEMBL1555552;SCHEMBL12702747;SCHEMBL15656168;UCHDWCPVSPXUMX-OYLFJNDKSA-N;NCGC00188353-01;2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;A899319;MONTELUKAST SODIUM IMPURITY A [EP IMPURITY];Q27279549;(S,E)-2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid;1-[[[(1R)-1-[3-(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid

Suppliers and Price of Montelukast, (S)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Montelukast, (S)-

Chemical Property:

XLogP3:7.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:585.2104429
Heavy Atom Count:41
Complexity:891

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
Isomeric SMILES:CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O

Technology Process of Montelukast, (S)-

There total 10 articles about Montelukast, (S)- 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:

: 1197374-09-6
(S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl acetate

: 220927-27-5
(R,E)-(1-{1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid

Guidance literature:: Multi-step reaction with 6 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

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

Reference yield:

: C₃₀H₂₈ClNO₃S

: 220927-27-5
(R,E)-(1-{1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

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

1.2: 19 h / -5 - 2 °C / Inert atmosphere

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

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

With n-butyllithium; sulfuric acid; water; In tetrahydrofuran; hexane; ethyl acetate;

Reference yield:

: 1351973-21-1
[S,E]-1-[[[1-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-[2-(prop-1-en-2-yl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid

: 220927-27-5
(R,E)-(1-{1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

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

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

With sulfuric acid; water; In ethyl acetate;