glyoxylic acid ethyl ester
[(p-methylphenyl)sulfonylmethyl]isonitrile
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane; toluene at 0℃; for 3h; Inert atmosphere; | 92% |
With potassium carbonate In ethanol at 80℃; | 86% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane; toluene for 3h; | 80% |
methyl isocyanate
oxalic acid diethyl ester
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: methyl isocyanate With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1.33333h; Metallation; Stage #2: oxalic acid diethyl ester In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Cyclization; | 71% |
glyoxylic acid ethyl ester
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; Inert atmosphere; | |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane; toluene at 0℃; for 1.33333h; Inert atmosphere; |
methanol
glyoxylic acid ethyl ester
[(p-methylphenyl)sulfonylmethyl]isonitrile
A
methyl oxazole-5-carboxylate
B
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: methanol; glyoxylic acid ethyl ester With caesium carbonate In tetrahydrofuran at 50℃; for 0.5h; Stage #2: [(p-methylphenyl)sulfonylmethyl]isonitrile In tetrahydrofuran; acetic acid at 60℃; for 1h; | |
With caesium carbonate at 60℃; |
para-bromotoluene
oxazol-5-yl-carboxylic acid ethyl ester
ethyl 2-(p-tolyl)oxazole-5-carboxylate
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 96% |
1-(3-Bromophenyl)ethanone
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 95% |
2-methoxy-5-bromopyridine
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 93% |
oxazol-5-yl-carboxylic acid ethyl ester
Oxazole-5-carboxamide
Conditions | Yield |
---|---|
In methanol; ammonia liquid NH3; | 92% |
With ammonia In methanol at 20℃; for 2h; | 92% |
In ammonia liquid NH3; | 92% |
With ammonia In methanol at 20℃; for 2h; | 92% |
With ammonia In methanol at 20℃; for 2h; | 92% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate; Trimethylacetic acid; ruphos In toluene at 100℃; for 3h; | 92% |
Benzoylformic acid
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With nickel(II) perchlorate hexahydrate; silver carbonate In benzene at 170℃; for 24h; | 90% |
With cobalt(II) perchlorate hexahydrate; silver carbonate at 170℃; for 24h; Sealed tube; | 62% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 90% |
4-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate; Trimethylacetic acid; ruphos In toluene at 100℃; for 18h; | 89% |
5-bromo-2-cyclopropylisoindolin-1-one
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 89% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 89% |
1-(4-Methoxyphenyl)-3,3-diethyl-1-triazene
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With copper(l) iodide; palladium diacetate In N,N-dimethyl-formamide at 130℃; for 12h; Sealed tube; | 88% |
oxazol-5-yl-carboxylic acid ethyl ester
3-Bromo-4-methylpyridin
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 88% |
oxazol-5-yl-carboxylic acid ethyl ester
1,3-oxazole-5-carboxylic acid
Conditions | Yield |
---|---|
With lithium hydroxide monohydrate; water at 25℃; for 6.5h; Large scale; | 87.5% |
With lithium hydroxide monohydrate In water at 25℃; for 6.5h; Large scale; | 87.5% |
Stage #1: oxazol-5-yl-carboxylic acid ethyl ester With lithium hydroxide monohydrate In water at 25℃; for 6.5h; Stage #2: With hydrogenchloride In water at 5 - 25℃; for 1h; | 87.4% |
With lithium hydroxide In tetrahydrofuran; water at 20℃; for 16h; | 67% |
oxazol-5-yl-carboxylic acid ethyl ester
5-bromo-2(trifluoromethyl)pyridine
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Sealed tube; Inert atmosphere; Glovebox; | 87% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 87% |
oxazol-5-yl-carboxylic acid ethyl ester
1,3-oxazol-5-ylmethanol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 0.5h; | 86% |
With sodium tetrahydroborate In ethanol at 20℃; for 60h; | 85% |
With sodium tetrahydroborate; lithium chloride In tetrahydrofuran; methanol at -10 - 20℃; Inert atmosphere; | 71% |
3,3-diethyl-1-(4-methylphenyl)-1-triazene
oxazol-5-yl-carboxylic acid ethyl ester
ethyl 2-(p-tolyl)oxazole-5-carboxylate
Conditions | Yield |
---|---|
With copper(l) iodide; palladium diacetate In N,N-dimethyl-formamide at 130℃; for 12h; Sealed tube; | 85% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate; Trimethylacetic acid; ruphos In toluene at 100℃; for 3h; | 85% |
5-iodo-2-(trifluoromethyl)pyridine
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 85% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate; Trimethylacetic acid; ruphos In toluene at 100℃; for 3h; | 84% |
oxazol-5-yl-carboxylic acid ethyl ester
5-bromo-2(trifluoromethyl)pyridine
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 84% |
oxazol-5-yl-carboxylic acid ethyl ester
2-bromo-5-(trifluoromethyl)pyridine
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 84% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 83% |
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: oxazol-5-yl-carboxylic acid ethyl ester With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Stage #2: With zinc(II) chloride In tetrahydrofuran at 20℃; for 0.5h; Stage #3: With iodine In tetrahydrofuran at -78 - 20℃; for 1.25h; | 82% |
Stage #1: oxazol-5-yl-carboxylic acid ethyl ester With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 1h; Stage #2: With 1,2-Diiodoethane In tetrahydrofuran at -78℃; for 1.25h; | 42% |
3-bromo-5-chloropyridine
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 81% |
oxazol-5-yl-carboxylic acid ethyl ester
oxazole-5-carbaldehyde
Conditions | Yield |
---|---|
With n-butyllithium; diisobutylaluminium hydride; tert-butyl alcohol In tetrahydrofuran; hexane at 0℃; | 80% |
With diisobutylaluminium hydride Inert atmosphere; | 0.73 g |
iodomesitylene
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With selenium; potassium phosphate; copper(l) chloride In N,N-dimethyl-formamide at 140℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere; | 77% |
1-(1-methylethyl)piperazine
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: 1-(1-methylethyl)piperazine; oxazol-5-yl-carboxylic acid ethyl ester at 55℃; for 1h; Molecular sieve; Stage #2: With lyophilysed lipase TL for 28.75h; | 76% |
Stage #1: 1-(1-methylethyl)piperazine; oxazol-5-yl-carboxylic acid ethyl ester at 55℃; for 1h; Stage #2: With Lipase TL for 28.75h; | 76% |
ethyl 5-bromo-3-pyridinecarboxylate
oxazol-5-yl-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With palladium diacetate; Cu(1+)*C12H8N2*Br(1-)*C18H15P; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 110℃; for 18h; Sealed tube; Inert atmosphere; Glovebox; | 75% |
The 5-Oxazolecarboxylicacid, ethyl ester, with its CAS registry number 118994-89-1, has the systematic name of ethyl 1,3-oxazole-5-carboxylate. With its molecular foumula of C6H7NO3, it has the formula weight of 141.12. Besides, its product categories are including Carboxylicester; Blocks; Oxazoles. For being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes.
The characteristics of 5-Oxazolecarboxylicacid, ethyl ester are as follows: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 52; (8)ACD/KOC (pH 7.4): 52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 33.05 cm3; (15)Molar Volume: 119.851 cm3; (16)Polarizability: 13.102×10-24cm3; (17)Surface Tension: 39.275 dyne/cm; (18)Density: 1.177 g/cm3; (19)Flash Point: 75.947 °C; (20)Enthalpy of Vaporization: 43.818 kJ/mol; (21)Boiling Point: 201.966 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(OCC)c1ocnc1
(2)InChI:InChI=1/C6H7NO3/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
(3)InChIKey:KRMORCCAHXFIHF-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
(5)Std. InChIKey:KRMORCCAHXFIHF-UHFFFAOYSA-N
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