CAS No.190078-45-6,L 768232 Suppliers

Products Categories

Pharmaceutical (20)
Organic Chemicals (9)
Others (7)

Basic Information

Molecular Structure:
CAS No.:	190078-45-6
Name:	L 768232
Article Data:	2

Formula:	C₃₅H₃₅ClNNaO₃S
Molecular Weight:	608.177
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;
Melting Point:	92-95°C
PSA:	98.55000
LogP:	7.61330

Synthetic route

: 1310-73-2
sodium hydroxide

: 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

: 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

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

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

: 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

Conditions	Yield
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

Yield

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

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

: 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

Conditions	Yield
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

Yield

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

: 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

Conditions	Yield
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

Yield

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

: 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

: 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

Conditions	Yield
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

: 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

: 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

Conditions	Yield
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

Total:35 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 190078-45-6

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