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CAS No.: | 1826-12-6 |
---|---|
Name: | 4-phenyl-1,3-thiazole |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C9H7NS |
Molecular Weight: | 161.227 |
Synonyms: | 4-Phenylthiazole; |
Density: | 1.173 g/cm3 |
Boiling Point: | 292.673 °C at 760 mmHg |
Flash Point: | 135.402 °C |
PSA: | 41.13000 |
LogP: | 2.81010 |
2-bromo-4-phenyl-1,3-thiazole
4-phenyl-thiazole
Conditions | Yield |
---|---|
With sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; palladium diacetate; triphenylphosphine In tetrahydrofuran at 20℃; for 3h; Reagent/catalyst; Time; Inert atmosphere; | 95% |
With sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; palladium diacetate; triphenylphosphine In tetrahydrofuran at 25℃; for 3h; Inert atmosphere; | 95% |
Multi-step reaction with 3 steps 1: N-chloro-succinimide / acetonitrile / 31 h / 20 °C / Inert atmosphere; Reflux 2: palladium diacetate; triphenylphosphine; N,N,N,N,-tetramethylethylenediamine; sodium tetrahydroborate / tetrahydrofuran / 9 h / 20 °C / Inert atmosphere 3: N,N,N,N,-tetramethylethylenediamine; sodium tetrahydroborate; PdCl2(1,1′-bis(di-tertbutylphosphino)ferrocene) / tetrahydrofuran / 20 h / 65 °C / Inert atmosphere View Scheme |
5-chloro-4-phenylthiazole
4-phenyl-thiazole
Conditions | Yield |
---|---|
With sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; PdCl2(1,1′-bis(di-tertbutylphosphino)ferrocene) In tetrahydrofuran at 65℃; for 20h; Reagent/catalyst; Time; Temperature; Inert atmosphere; | 95% |
With sodium tetrahydroborate; dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 65℃; for 20h; Reagent/catalyst; Temperature; Inert atmosphere; | 95% |
4-phenyl-thiazole
Conditions | Yield |
---|---|
With caesium carbonate In m-xylene at 150℃; for 40h; regioselective reaction; | 95% |
Conditions | Yield |
---|---|
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 25℃; for 20h; Reagent/catalyst; Temperature; Inert atmosphere; | 93% |
With sodium tetrahydroborate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 20℃; for 22h; Reagent/catalyst; Time; Inert atmosphere; | 92% |
2,5-dibromo-4-phenylthiazole
A
5-bromo-4-phenylthiazole
B
4-phenyl-thiazole
Conditions | Yield |
---|---|
With sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; palladium diacetate; triphenylphosphine In tetrahydrofuran at 0℃; for 14h; Reagent/catalyst; Time; Inert atmosphere; regioselective reaction; | A 84% B 6% |
With sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; palladium diacetate; triphenylphosphine In tetrahydrofuran for 14h; Reagent/catalyst; Temperature; Inert atmosphere; Overall yield = 90 %; regioselective reaction; |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane; water at 100℃; for 18h; Suzuki Coupling; Inert atmosphere; Sealed tube; | 62% |
Conditions | Yield |
---|---|
With tetrahydrofuran; oxygen; nitrogen(II) oxide for 8h; Ambient temperature; | 40% |
With copper(I) oxide; sulfuric acid; hypophosphorous acid; sodium nitrite 1.) 0 deg C, 2.) H2O, from -5 deg C to RT; Yield given. Multistep reaction; | |
Stage #1: 2-Amino-4-phenylthiazole With sulfuric acid; trifluoroacetic acid; sodium nitrite In water at -15℃; Sandmeyer Reaction; Stage #2: With phosphoric acid In water at -15 - 20℃; |
1,3-thiazole
2-methylmercapto-4-phenylthiazole
A
4-phenyl-thiazole
B
2-methylthio-1,3-thiazole
Conditions | Yield |
---|---|
With carbonylhydridetris(triphenylphosphine)rhodium(I); 1,3-bis(dicyclohexylphosphine)propane In 1,2-dichloro-benzene for 3h; Reflux; Inert atmosphere; | A 31% B 12% |
ethyl acrylate
2-bromo-4-phenyl-1,3-thiazole
A
4-phenyl-thiazole
B
4,4'-diphenyl-2,2'-bithiazole
C
(E)-3-(4-Phenyl-thiazol-2-yl)-acrylic acid ethyl ester
Conditions | Yield |
---|---|
With triethylamine; palladium diacetate In N,N-dimethyl-formamide at 130℃; for 24h; sealed tube; | A 22% B 6% C 19% |
2-bromo-4-phenyl-1,3-thiazole
A
4-phenyl-thiazole
B
4,4'-diphenyl-2,2'-bithiazole
C
(E)-3-(4-Phenyl-thiazol-2-yl)-acrylic acid ethyl ester
Conditions | Yield |
---|---|
With triethylamine; ethyl acrylate; palladium diacetate In N,N-dimethyl-formamide at 130℃; for 24h; sealed tube; | A 22% B 6% C 19% |
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Empirical Formula: C9H7NS
Molecular Weight: 161.2236g/mol
Structure of 4-Phenyl-1,3-thiazole (CAS NO.1826-12-6):
Index of Refraction: 1.604
Molar Refractivity: 47.32 cm3
Molar Volume: 137.4 cm3
Polarizability: 18.75×10-24cm3
Surface Tension: 46 dyne/cm
Density: 1.173 g/cm3
Flash Point: 135.4 °C
Enthalpy of Vaporization: 51.09 kJ/mol
Boiling Point: 292.7 °C at 760 mmHg
Vapour Pressure: 0.00316 mmHg at 25°C
Systematic Name: 4-phenyl-1,3-thiazole
SMILES: n2c(c1ccccc1)csc2
InChI: InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H
InChIKey: KXCQDIWJQBSUJF-UHFFFAOYAX
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 200mg/kg (200mg/kg) | Acta Pharmaceutica Suecica. Vol. 8, Pg. 49, 1971. |
4-Phenyl-1,3-thiazole , its cas register number is 1826-12-6. It also can be called 4-27-00-01142 (Beilstein Handbook Reference) ; 4-Phenylthiazole ; BRN 0114779 .