Product Name

  • Name

    L 768232

  • EINECS
  • CAS No. 190078-45-6
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 92-95°C
  • Formula C35H35ClNNaO3S
  • Boiling Point
  • Molecular Weight 608.177
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 190078-45-6 (L 768232)
  • Hazard Symbols
  • 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;
  • PSA 98.55000
  • LogP 7.61330

Synthetic 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

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) Specification

The 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), with the CAS registry number 190078-45-6, belongs to the product categories of Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. This chemical's molecular formula is C35H35ClNNaO3S and molecular weight is 608.1651. Its systematic name is called [2-[1-[[(1S)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetyl]oxysodium.

Physical properties of 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): (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 15; (4)Polar Surface Area: 84.72 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O[Na])O
(2)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
(3)InChIKey: LBFBRXGCXUHRJY-VOVTZARSBR

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View