1155306-53-8|2-(3-(Methylsulfonyl)phenyl)ethanol| Ambeed

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CAS No. :	1155306-53-8
Formula :	C₉H₁₂O₃S
M.W :	200.25
SMILES Code :	O=S(C1=CC(CCO)=CC=C1)(C)=O
MDL No. :	MFCD32709375

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Yield	Reaction Conditions	Operation in experiment
		2-(3-methanesulfonyl-phenyl)-ethanol was prepared as follows: To a solution of 3-methylsulphonylphenylacetic acid (200mg, 0.93mmol) in dry THF (3ml) at O0C was added borane-tetrahydrofuran complex ( 1.0M solution in THF, 1.4 equiv, 1.31 ml) dropwise. The reaction was allowed to warm up to room temperature overnight and then quenched with water. DCM/brine extraction gave 2-(3-methanesulfonyl-phenyl)-ethanol as a clear oil (184mg).
160 mg	With borane-THF; In tetrahydrofuran; at 20℃; for 14.5h;Inert atmosphere; Cooling with ice;	Under a nitrogen atmosphere, borane-tetrahydrofuran complex (0.98 mol/L tetrahydrofuran solution, 1.91 mL) was added to a solution of commercially available <strong>[1877-64-1][3-(methanesulfonyl)phenyl]acetic acid</strong> (200 mg) in tetrahydrofuran (1.87 mL) under ice cooling, and the mixture was stirred at room temperature for 14.5 hours. The saturated sodium hydrogen carbonate was carefully added to the mixture to stop the reaction, and then the mixture was extracted with ethyl acetate three times. The combined organic layer was washed with water, and was separated by a phase separator, and the solvent was distilled off under reduced pressure. The obtained residue was purified by NH silica gel column chromatography (n-hexane/ethyl acetate = 4: 1, to ethyl acetate only) to give the title compound (160 mg) as a colorless oily substance. 1H NMR (600 MHz, CHLOROFORM-d) δ ppm 1.44 (t, J=5.6 Hz, 1 H) 2.97 (t, J=6.4 Hz, 2 H) 3.06 (s, 3 H) 3.89 - 3.96 (m, 2 H) 7.48 - 7.57 (m, 2 H) 7.77 - 7.87 (m, 2 H). MS ESI/APCI Multi posi: 223 [M+Na]+. MS ESI/APCI Multi nega: 235 [M+Cl]-.

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P263	Avoid contact during pregnancy/while nursing.
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P378
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P391	Collect spillage. Hazardous to the aquatic environment
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P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
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P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
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P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 1155306-53-8

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CAS No.: 1155306-53-8

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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