849062-30-2|(2-Fluoro-5-isopropoxyphenyl)boronic acid| Ambeed

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Yield	Reaction Conditions	Operation in experiment
77%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate In 1,4-dioxane at 20 - 100℃; for 18h; Inert atmosphere;	41A 41A. 3-(2'-Fluoro-5'-isopropoxy-[1 ,1 '-biphenyl]-4-yl)propan-1-ol To a solution of 3-(4-bromophenyl)propan-1-ol(1.5 g, 6.97 mmol) in dioxane (20 mL) was added (2-fluoro-5-isopropoxyphenyl)boronic acid (1.381 g, 6.97 mmol),Pd(Ph3P)4 (0.806 g, 0.697 mmol), and Cs2C03 (2.95 g, 9.07mmol). The mixture was degassed and charged with Ar. Themixture was stirred under Ar for 10 hat 100° C., then cooledtort and stirred for 8 hat rt, after which sat'd aq. NaHC03was added. The aqueous layer was extracted with EtOAc(2x). The combined organic extracts were dried over MgS04and concentrated in vacuo. The residue was chromatographed(Si02 ; 40 g; Et0Ac/Hexane=1/4) and then purifiedby preparative HPLC (PHENOMENEX 30x100 mmAxiaLuna column with 65-100% B over 10 min, A=90:10:0.1H20:MeOH:TFA and 8=90:10:0.1 MeOH:H20:TFA) togive the title compound (1.62 g, 5.34 mmol, 77% yield). 1HNMR (400 MHz, CDC13 ) ll7.54-7.45 (m, lH), 7.36-7.29 (m,lH), 7.08 (dd, 1=10.1, 9.0 Hz, lH), 6.98 (dd, 1=6.4, 3.1 Hz,lH), 6.85 (dt, 1=9.0, 3.5 Hz, lH), 4.55 (dt, 1=12.1, 6.1 Hz,lH), 3.77 (t, 1=6.5 Hz, 2H), 2.85-2.71 (m, 2H), 1.97 (dd,1=7.8, 6.7 Hz, 2H), 1.36 (d, 1=5.9 Hz, 6H).

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Precautionary Statements-General
Code	Phrase
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Prevention
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
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P321
P322
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P378
P380	Evacuate area.
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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P370 + P378	In case of fire:
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
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Disposal
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Ghs Hazard Statements

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
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

CAS No. :	849062-30-2	MDL No. :	MFCD06411349
Formula :	C₉H₁₂BFO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IEBGLDYEUYTUMZ-UHFFFAOYSA-N
M.W :	198.00	Pubchem ID :	16217681
Synonyms :

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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[ 849062-30-2 ] Synthesis Path-Downstream 1~1

Precautionary Statements-General

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Health hazards

Environmental hazards

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