CAS No.122320-74-5,5-[4-[2-[N-Methyl-N-(2-pyridinyl)amino]ethoxy]benzylidene]-2,4-thiazolidinedione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122320-74-5
Name:	5-[4-[2-[N-Methyl-N-(2-pyridinyl)amino]ethoxy]benzylidene]-2,4-thiazolidinedione
Article Data:	5

Formula:	C₁₈H₁₇N₃O₃S
Molecular Weight:	355.417
Synonyms:	5-[4-[2-(N-Methyl-N-(pyridin-2-yl)amino)ethoxy]benzylidene]thiazolidine-2,4-dione;5-[[4-[2-[Methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylene]thiazolidine-2,4-dione;5-[4-[2-(Methylpyridin-2-ylamino)ethoxy]benzylidene]thiazolidine-2,4-dione;
EINECS:	602-492-8
Density:	1.361 g/cm³
Appearance:	Yellow crystalline powder
PSA:	96.83000
LogP:	3.24950

Synthetic route

: 2295-31-0
2,4-thiazolidinedion

: 122321-03-3
4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzaldehyde

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

Conditions

Conditions	Yield
With pyrrolidine; acetic acid In toluene for 3h; Heating; Reflux;	95%
In toluene for 5h; Reflux;	95.3%
piperdinium acetate In toluene for 5h; Heating / reflux;

: 122321-04-4
2-(N-methyl-N-(pyridin-2-yl)amino)ethanol

: 5-(4-fluorobenzylidene)-1,3-thiazolidine-2,4-dione

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 4h;	80%

: C9H6FNO

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: C9H14N2OS / dimethyl sulfoxide / 48 h / 600 °C / 7500.75 Torr 2: potassium hydroxide / dimethyl sulfoxide / 4 h / 100 °C View Scheme

: 109-09-1
2-chloropyridine

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: triphenylmethyl sodium / 8 h / 70 °C 2: potassium hexamethylsilazane / 1 h / 60 °C 3: toluene / 5 h / Reflux View Scheme

: 122321-04-4
2-(N-methyl-N-(pyridin-2-yl)amino)ethanol

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium hexamethylsilazane / 1 h / 60 °C 2: toluene / 5 h / Reflux View Scheme

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

: 122320-73-4
rosiglitazone

Conditions

Conditions	Yield
With BuMnCl In methanol at 20℃; for 0.5h;	93.7%
With iodine; magnesium In methanol for 3h; Reflux;	92%
With pyridine; lithium borohydride In tetrahydrofuran; water	77%

: 122320-74-5
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione

: L-Selectride

: 122320-73-4
rosiglitazone

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; dihydrogen peroxide In tetrahydrofuran

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Specification

The 5-[4-[2-[N-Methyl-N-(2-pyridinyl)amino]ethoxy]benzylidene]-2,4-thiazolidinedione is an organic compound with the formula C₁₈H₁₇N₃O₃S. The systematic name of this chemical is (5Z)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzylidene)-1,3-thiazolidine-2,4-dione. With the CAS registry number 122320-74-5, it is also named as 2,4-thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methylene]-, (5Z)-.

The other characteristics of 5-[4-[2-[N-Methyl-N-(2-pyridinyl)amino]ethoxy]benzylidene]-2,4-thiazolidinedione can be summarized as: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 54; (8)ACD/KOC (pH 7.4): 262; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 96.83 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 99.537 cm³; (15)Molar Volume: 261.122 cm³; (16)Polarizability: 39.459×10^-24 cm³; (17)Surface Tension: 65.82 dyne/cm; (18)Density: 1.361 g/cm³.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C1C(\SC(=O)N1)=C\c3ccc(OCCN(c2ncccc2)C)cc3
2. InChI:InChI=1/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)/b15-12-
3. InChIKey:HCDYSWMAMRPMST-QINSGFPZBV