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190078-45-6

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  • Cyclopropaneaceticacid,1-[[[(1S)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-,sodium salt (1:1)

    Cas No: 190078-45-6

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  • Shandong Hanjiang Chemical Co., Ltd.
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190078-45-6 Usage

Chemical Properties

Pale Yellow Solid

Uses

Different sources of media describe the Uses of 190078-45-6 differently. You can refer to the following data:
1. 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.
2. The S-enantiomer of Montelukast. Results indicate that there is no apparent bioinversion of Montelukast to its S-enantiomer in humans.

Check Digit Verification of cas no

The CAS Registry Mumber 190078-45-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,0,0,7 and 8 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 190078-45:
(8*1)+(7*9)+(6*0)+(5*0)+(4*7)+(3*8)+(2*4)+(1*5)=136
136 % 10 = 6
So 190078-45-6 is a valid CAS Registry Number.
InChI:InChI=1/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m0./s1

190078-45-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Sodium {1-[({(1S)-1-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl }-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclop ropyl}acetate

1.2 Other means of identification

Product number -
Other names montelukast sodium salt

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:190078-45-6 SDS

190078-45-6Synthetic route

sodium hydroxide
1310-73-2

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
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

[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

[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

Conditions
ConditionsYield
In methanol; toluene for 0.25h; Argon atmosphere;
(S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl acetate
1197374-09-6

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

[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

[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

Conditions
ConditionsYield
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
View Scheme
1R-{(3-[(E)-2-(7-chloroquinolin-2-yl) vinyl] phenyl)}-3-[2-(prop-1-en-2-yl) phenyl] propan-1-ol
1352029-52-7

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

[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

[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

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: hydrogenchloride / water / 25 - 30 °C / pH 6.5 - 7
2.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 25 - 30 °C
2.2: 1.5 h / 0 - 5 °C
3.1: n-butyllithium / tetrahydrofuran; hexane / -15 - 0 °C / Inert atmosphere
3.2: 19 h / -5 - 2 °C / Inert atmosphere
4.1: ethyl acetate / 15 h / 25 - 30 °C / Inert atmosphere
5.1: sulfuric acid; water / 2 h / 0 - 10 °C / Inert atmosphere
6.1: ethyl acetate / 18 h / 25 - 30 °C / Inert atmosphere
7.1: acetic acid / dichloromethane; water / 0.5 h / pH 3.5 - 4
7.2: 0.5 h / 25 - 30 °C
View Scheme
C30H28ClNO3S

C30H28ClNO3S

[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

[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

Conditions
ConditionsYield
Multi-step reaction with 5 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
4.1: ethyl acetate / 18 h / 25 - 30 °C / Inert atmosphere
5.1: acetic acid / dichloromethane; water / 0.5 h / pH 3.5 - 4
5.2: 0.5 h / 25 - 30 °C
View Scheme
[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
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

[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

[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

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: ethyl acetate / 15 h / 25 - 30 °C / Inert atmosphere
2.1: sulfuric acid; water / 2 h / 0 - 10 °C / Inert atmosphere
3.1: ethyl acetate / 18 h / 25 - 30 °C / Inert atmosphere
4.1: acetic acid / dichloromethane; water / 0.5 h / pH 3.5 - 4
4.2: 0.5 h / 25 - 30 °C
View Scheme
[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 dicyclohexylamine salt
1351973-22-2

[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 dicyclohexylamine 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

[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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid; water / 2 h / 0 - 10 °C / Inert atmosphere
2.1: ethyl acetate / 18 h / 25 - 30 °C / Inert atmosphere
3.1: acetic acid / dichloromethane; water / 0.5 h / pH 3.5 - 4
3.2: 0.5 h / 25 - 30 °C
View Scheme

190078-45-6Downstream Products

190078-45-6Relevant articles and documents

Identification, synthesis and characterization of impurities of Montelukast sodium

Sunil Kumar,Anjaneyulu,Hima Bindu

, p. 4536 - 4546 (2012/02/04)

Montelukast sodium is a selective leukotriene receptor antagonist which inhibits cysteinyl leukotriene CysLT1 receptor. Various synthesis of Montelukast is published. During laboratory optimization and later in bulk synthesis formation of various impurities was detected. Besides, pharma Europa draft mention nine process related impurities. However, the method of preparation of most of these impurities is not available in literature. Also, different route of synthesis will have different impurity profile and those process related impurities are not covered in pharmacopeias. In this study we report the synthesis of possible process impurities, including seven impurities (A-H) mentioned in pharma Europa.

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