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Name |
5-[4-[2-[N-Methyl-N-(2-pyridinyl)amino]ethoxy]benzylidene]-2,4-thiazolidinedione |
EINECS | 602-492-8 |
CAS No. | 122320-74-5 | Density | 1.361 g/cm3 |
PSA | 96.83000 | LogP | 3.24950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H17N3O3S | Boiling Point | N/A |
Molecular Weight | 355.417 | Flash Point | N/A |
Transport Information | N/A | Appearance | Yellow crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 5 |
2,4-thiazolidinedion
4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzaldehyde
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
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; |
2-(N-methyl-N-(pyridin-2-yl)amino)ethanol
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 4h; | 80% |
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
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 |
2-chloropyridine
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
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 |
2-(N-methyl-N-(pyridin-2-yl)amino)ethanol
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium hexamethylsilazane / 1 h / 60 °C 2: toluene / 5 h / Reflux View Scheme |
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
rosiglitazone
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% |
5-{4-[2-[N-methyl-N-(2-pyridyl)amino]ethoxy]benzylidene}thiazolin-2,4-dione
rosiglitazone
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide; dihydrogen peroxide In tetrahydrofuran |
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