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Cas Database |
| Name |
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid |
EINECS | 223-486-8 |
| CAS No. | 3919-74-2 | Density | 1.454 g/cm3 |
| PSA | 63.33000 | LogP | 3.14070 |
| Solubility | N/A | Melting Point |
202 °C |
| Formula | C11H7ClFNO3 | Boiling Point | 360.7 °C at 760 mmHg |
| Molecular Weight | 255.633 | Flash Point | 171.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-37/39-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID;LABOTEST-BB LT00454096;RARECHEM AL BO 0550;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile-4-carboxylicacid;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid 97%;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylicacid97%;3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC A;3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxic Acid |
Article Data | 13 |
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Synthetic route
- 1239346-71-4
(3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)methanol
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: (3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)methanol With potassium permanganate; disodium hydrogenphosphate In methanol; water at 25℃; Continuous flow conditions; Sonication; Stage #2: With hydrogenchloride; sodium thiosulfate; sodium chloride In methanol; water; ethyl acetate | 87% |
- 51088-25-6
2-chloro-6-fluoro-N-hydroxybenzene-1-carbonimidoyl chloride
- 105-45-3
acetoacetic acid methyl ester
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With ethanol; triethylamine at 5℃; | 72% |
- 4415-09-2
methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol | |
| With water; sodium hydroxide In methanol for 1h; pH=11 - 13; Reflux; | |
| With water; sodium hydroxide In ethanol at 60℃; for 24h; | |
| With sodium hydroxide In water for 3h; |
- 387-45-1
2-chloro-6-fluorobenzaldehyde
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: (i) NH2OH, (ii) Cl2, CHCl3, (iii) /BRN= 506727/, MeOH 2: aq. KOH / ethanol View Scheme | |
| Multi-step reaction with 4 steps 1.1: hydroxylamine sulfate / methanol / 0.5 h 1.2: 0.5 h / pH 8 - 9 / Reflux 2.1: chlorine / methanol / 0 - 5 °C 3.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10 3.2: 2 h / 0 - 20 °C / pH 9 4.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: sodium carbonate; hydroxylamine hydrochloride / ethanol; water / 2 h / 20 °C 2: pyridine; N-chloro-succinimide / chloroform / 1.5 h / 20 °C 3: ethanol; triethylamine / 5 °C View Scheme |
- 51088-25-6
2-chloro-6-fluoro-N-hydroxybenzene-1-carbonimidoyl chloride
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10 1.2: 2 h / 0 - 20 °C / pH 9 2.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux View Scheme |
- 443-33-4
N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: chlorine / methanol / 0 - 5 °C 2.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10 2.2: 2 h / 0 - 20 °C / pH 9 3.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: pyridine; N-chloro-succinimide / chloroform / 1.5 h / 20 °C 2: ethanol; triethylamine / 5 °C View Scheme |
- 387-45-1
2-chloro-6-fluorobenzaldehyde
- 105-45-3
acetoacetic acid methyl ester
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloro-6-fluorobenzaldehyde With hydroxylamine sulfate In methanol at 20 - 40℃; for 1h; Stage #2: With chlorine; sodium carbonate; triethylamine In methanol at 0 - 20℃; for 24h; pH=~ 9.5; Inert atmosphere; Stage #3: acetoacetic acid methyl ester With sodium carbonate In methanol pH=~ 7 - 7.5; |
- 83817-51-0
ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In ethanol at 60℃; for 24h; |
- 5250-39-5, 24223-74-3
floxacillin
A
- 124-38-9
carbon dioxide
C
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With potassium tellurite; sulfuric acid at 14.84℃; Kinetics; Thermodynamic data; Temperature; |
- 3919-74-2
3-(2-chloro-6-flourophenyl)-5-methyl-isoxazole-4-carboxylic acid
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride at 45℃; for 1h; | 88% |
| With phosphorus pentachloride In toluene | |
| With phosphorus pentachloride In toluene |
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Chemical Properties
CAS No:3919-74-2
Synonyms:3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID;LABOTEST-BB LT00454096;RARECHEM AL BO 0550;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile-4-carboxylicacid;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid 97%;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylicacid97%;3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC A;3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxic Acid
Molecular Formula:C11H7ClFNO3
Formula Weight:255.63
Melting Point:202 °C
Molecular Structure:
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Safety Profile
Risk Statements 36/37/38-37/38-36
Safety Statements 26-36/37/39-37/39-36
Hazard Note Irritant
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