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Cas Database |
| Name |
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione |
EINECS | N/A |
| CAS No. | 291536-35-1 | Density | 1.495 g/cm3 |
| PSA | 74.96000 | LogP | 2.42550 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H6FNO2S | Boiling Point | N/A |
| Molecular Weight | 223.228 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione;(Z)-5-(4-Fluorobenzylidene)thiazolidine-2,4-dione; |
Article Data | 17 |
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione Synthetic route
- 2295-31-0
2,4-thiazolidinedion
- 459-57-4
4-fluorobenzaldehyde
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| With Fe3O4/SiO2-NH2/Cu(II) In ethanol for 0.5h; Catalytic behavior; Reflux; Green chemistry; | 97% |
| With aluminum oxide at 108℃; for 0.0833333h; Microwave irradiation; | 97% |
| With piperidine; acetic acid at 20℃; for 0.025h; Knoevenagel condensation; microwave irradiation; | 95% |
- 2295-31-0
2,4-thiazolidinedion
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| With trichlorophosphate In toluene for 8h; Reflux; | 36% |
- 459-57-4
4-fluorobenzaldehyde
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydrogensulfite / water; hexane / 1 h / 20 °C 2: trichlorophosphate / toluene / 8 h / Reflux View Scheme |
- 444-27-9, 19291-02-2, 34592-47-7, 45521-09-3
(RS)-4-thiazolidinecarboxylic acid
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
- 82-86-0
acenaphthene quinone
| Conditions | Yield |
|---|---|
| In ethanol at 25 - 30℃; for 5h; Sonication; | 88% |
- 107-97-1
sarcosine
- 91-56-5
indole-2,3-dione
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| In 1,4-dioxane; water Heating; | 83% |
- 91-56-5
indole-2,3-dione
- 444-27-9, 19291-02-2, 34592-47-7, 45521-09-3
(RS)-4-thiazolidinecarboxylic acid
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| In ethanol at 25℃; for 5h; Sonication; regioselective reaction; | 80% |
- 96-32-2
bromoacetic acid methyl ester
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
- 438190-39-7
{5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-2,4-dioxo-thiazolidin-3-yl}-acetic acid methyl ester
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide Heating; | 78% |
| Stage #1: (Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: bromoacetic acid methyl ester In N,N-dimethyl-formamide for 24h; |
- 135038-33-4
7-(4-(2-chloroacetyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In acetone for 3h; Reflux; | 68% |
- 161798-25-0
4-(bromomethyl)-7-hydroxy-2H-chromen-2-one
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
- 1307299-72-4
(Z)-5-(4-fluorobenzylidene)-3-[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]thiazolidine-2,4-dione
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h; | 65% |
- 291536-35-1
(Z)-5-(4-fluorophenylmethylene)-2,4-thiazolidinedione
| Conditions | Yield |
|---|---|
| With pyridine; lithium borohydride In tetrahydrofuran for 2.5h; Reduction; Heating; | 62% |
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione Chemical Properties
Molecular Structure of 2,4-Thiazolidinedione,5-[(4-fluorophenyl)methylene]-, (5Z)- (CAS NO.291536-35-1):
.png)
Empirical Formula: C10H6FNO2S
Molecular Weight: 223.2235
ACD/LogP: 1.45
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.44
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 5.5): 7.33
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 5.5): 144.42
ACD/KOC (pH 7.4): 79.09
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 62.68 ?2
Index of Refraction: 1.677
Molar Refractivity: 56.24 cm3
Molar Volume: 149.2 cm3
Surface Tension: 60.7 dyne/cm
Density: 1.495 g/cm3
SMILES: O=C1C(\SC(=O)N1)=C\c2ccc(F)cc2
InChI: InChI=1/C10H6FNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione Specification
2,4-Thiazolidinedione,5-[(4-fluorophenyl)methylene]-, (5Z)- , with CAS number of 291536-35-1, can be called 5-(4-Fluoro-benzylidene)-thiazolidine-2,4-dione ; (5Z)-5-(4-fluorobenzylidene)-1,3-thiazolidine-2,4-dione .
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