| Identification | More | [Name]
ETHYL 5-FLUOROINDOLE-2-CARBOXYLATE | [CAS]
348-36-7 | [Synonyms]
2-CARBETHOXY-5-FLUOROINDOLE
5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
5-FLUOROINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
ETHYL 5-FLUORO-1H-INDOLE-2-CARBOXYLATE
ETHYL 5-FLUOROINDOLE-2-CARBOXYLATE
Ethyl 5-fluoroindole
5-Fluoro-2-indolecarboxylic acid ethyl ester
2-ETHYLFORMATE-5-FLUOROINDOLE
5-F-ICA-OEt | [Molecular Formula]
C11H10FNO2 | [MDL Number]
MFCD00152076 | [Molecular Weight]
207.2 | [MOL File]
348-36-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
146-150 °C | [Boiling point ]
345.9±22.0 °C(Predicted) | [density ]
1.291±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [pka]
14.17±0.30(Predicted) | [color ]
White to Yellow to Orange | [λmax]
281nm(EtOH)(lit.) | [BRN ]
170254 | [InChI]
1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3 | [InChIKey]
VIKOQTQMWBKMNA-UHFFFAOYSA-N | [SMILES]
CCOC(=O)c1cc2cc(F)ccc2[nH]1 | [CAS DataBase Reference]
348-36-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P305+P351+P338 | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
2933998090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow powder | [Uses]
- Reactant for preparation of antitumor agents
- Reactant for preparation of antihyperlipidemic agents
- Reactant for preparation of factor Xa inhibitors
- Reactant for preparation of potential antiarrhythmic agents
- Reactant for preparation of inhibitors of the cytosolic phospholipase A2
- Reactant for preparation of thromboxane receptor antagonist and thromboxane synthase inhibitor via Mitsunobu reaction
| [Uses]
Reactant for preparation of antitumor agents 1 Reactant for preparation of antihyperlipidemic agents 2 Reactant for preparation of factor Xa inhibitors 3 Reactant for preparation of potential antiarrhythmic agents 4 Reactant for preparation of inhibitors of the cytosolic phospholipase A2 5 Reactant for preparation of thromboxane receptor antagonist and thromboxane synthase inhibitor via Mitsunobu reaction 6 | [Synthesis]
Phenylhydrazone 4-fluorophenylhydrazine pyruvate (65 g) was used as a raw material, which was added to a mixture of polyphosphoric acid (500 g) and phosphoric acid (250 g) that had been pre-mixed and heated to 75°C. The reaction was carried out by stirring for 1 hour. The reaction was stirred at a temperature range of 75-85°C for 1 hour to ensure complete reaction of the feedstock. Subsequently, the reaction was continued at the same temperature conditions for 20 minutes and the completion of the reaction was confirmed by monitoring. The reaction mixture was slowly poured into an ice-water mixture (1500 g) and cooled to room temperature. The resulting light yellow solid was separated and dried to give the final ethyl 5-fluoroindole-2-carboxylate (52.2 g) in 87% yield. | [References]
[1] Patent: CN104402795, 2017, B. Location in patent: Paragraph 0040; 0042
[2] Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1954, vol. 297, p. 229,233
[3] Journal of the Chemical Society, 1955, p. 1283,1284
[4] Archiv der Pharmazie, 2008, vol. 341, # 5, p. 294 - 300
[5] European Journal of Medicinal Chemistry, 2013, vol. 69, p. 125 - 138 |
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