881674-06-2|Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate| Ambeed

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CAS No. :	881674-06-2
Formula :	C₁₃H₁₂FNO₂
M.W :	233.24
SMILES Code :	O=C(C1=CNC(C2=CC=CC=C2F)=C1)OCC
MDL No. :	MFCD11875840
InChI Key :	KXQMTNMMOMBDLC-UHFFFAOYSA-N
Pubchem ID :	66924698

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Yield	Reaction Conditions	Operation in experiment
60%		Reference Example 111 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde A solution (220 mL) of ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate (11.6 g) in tetrahydrofuran was cooled to -78C, and a 1.5 mol/L solution (100 mL) of diisobutylaluminum hydride in toluene was added dropwise over 10 min. The mixture was stirred at -78C for 1 hr and water (10 mL) was added dropwise over 2 min. The mixture was allowed to warm to room temperature and stirred for 2 hr. To the reaction mixture were added celite and anhydrous magnesium sulfate and the mixture was filtered. The filtrate was concentrated under reduced pressure to give a pale-yellow oil (yield 8.30 g). To a solution (220 mL) of the obtained pale-yellow oil (8.30 g) in acetonitrile were added tetra-n-propylammonium perruthenate (1.75 g), N-methylmorpholine N-oxide (13.5 g) and molecular sieves 4A powder (5 g), and the mixture was stirred at room temperature for 1.5 hr. The reaction mixture was filtered through celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate= 7:3?1:1) to give the title compound as yellow crystals (yield 5.6 g, 60%). 1H-NMR (CDCl3)delta: 7.07-7.28 (4H, m), 7.52-7.54 (1H, m), 7.61-7.67 (1H, m), 9.49 (1H, brs), 9.86 (1H, s).
60%		Diisobutyl aluminum hydride 2.4ml dissolved in toluene, placed at -78 , take 2.3g dissolved in 100ml of tetrahydrofuranWas added dropwise to the reactor. After stirring for 1 hour, 2 ml of water was added slowly, and the mixture was stirred at room temperature for 1 hour.Adding anhydrous magnesium sulfate, filtering and concentrating the filtrate to dryness, dissolving in 45ml of acetonitrile, adding 2.36g of NMO,0.46g TPAP, molecular sieves, reaction at room temperature for 1.5 hours, the filtrate filtered diatomite, vacuum concentration, eluentWith hexane: ethyl acetate = 4: 1-1: 1 over the column that 1.1g, 60% yield.

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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 881674-06-2

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CAS No.: 881674-06-2

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[ 881674-06-2 ] Synthesis Path-Downstream 1~3

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed