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[ CAS No. 1150163-69-1 ]

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3d Animation Molecule Structure of 1150163-69-1

Chemical Structure| 1150163-69-1

Chemical Structure| 1150163-69-1

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Quality Control of [ 1150163-69-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1150163-69-1 ]

Product Details of [ 1150163-69-1 ]

CAS No. :	1150163-69-1	MDL No. :	MFCD12026006
Formula :	C₈H₅BrF₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DKMZPQFQQSKBRL-UHFFFAOYSA-N
M.W :	251.02	Pubchem ID :	46739483
Synonyms :

Safety of [ 1150163-69-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1150163-69-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 1150163-69-1 ]

[ 1150163-69-1 ] Synthesis Path-Downstream 1~1

1
[ 2829351-23-5 ]
[ 1150163-69-1 ]
[ 2829351-35-9 ]

Yield	Reaction Conditions	Operation in experiment
59 %	With potassium phosphate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) In tetrahydrofuran; water at 80℃;	5-(2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1,4-dihydroquinolin-6-yl)-2,3- difluorobenzoic acid Step 1, methyl 3'-acetyl-4'-amino-2',4,5,6'-tetrafluoro-[1,1'-biphenyl]-3- carboxylate: To a solution of methyl 5-bromo-2,3-difluorobenzoate (500 mg, 2.0 mmol, 1 equiv.), 1-(6-amino-2,4-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)phenyl)ethan-1-one (888 mg, 3.0 mmol, 1.5 equiv.) and K3PO4 (846 mg, 3.9 mmol, 2 equiv.) in water (2 mL) and THF (8 mL), was added [1,1′-bis(di-tert- butylphosphino)ferrocene]dichloropalladium(II) (129.8 mg, 199 μmol, 0.1 equiv.). The reaction mixture was stirred at 80 °C for 2 hours. The reaction mixture was poured into water (5mL) and stirred for 2 min. The aqueous phase was extracted with ethyl acetate (2 x 5 mL). The combined organic layers were washed with brine (2 x 5 mL), dried over Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (15:1 to 5:1 petroleum ether:ethyl acetate) to afford the title compound (400 mg, 59% yield) as white solid.1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.72 - 7.78 (m, 1 H) 7.38 - 7.46 (m, 1 H) 6.26 (dd, J = 11.6, 1.53 Hz, 1 H) 3.93 - 4.00 (m, 3 H) 2.60 (d, J = 8.8 Hz, 3 H).
59 %	With potassium phosphate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) In tetrahydrofuran; water at 80℃;	5-(2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1,4-dihydroquinolin-6-yl)-2,3- difluorobenzoic acid Step 1, methyl 3'-acetyl-4'-amino-2',4,5,6'-tetrafluoro-[1,1'-biphenyl]-3- carboxylate: To a solution of methyl 5-bromo-2,3-difluorobenzoate (500 mg, 2.0 mmol, 1 equiv.), 1-(6-amino-2,4-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)phenyl)ethan-1-one (888 mg, 3.0 mmol, 1.5 equiv.) and K3PO4 (846 mg, 3.9 mmol, 2 equiv.) in water (2 mL) and THF (8 mL), was added [1,1′-bis(di-tert- butylphosphino)ferrocene]dichloropalladium(II) (129.8 mg, 199 μmol, 0.1 equiv.). The reaction mixture was stirred at 80 °C for 2 hours. The reaction mixture was poured into water (5mL) and stirred for 2 min. The aqueous phase was extracted with ethyl acetate (2 x 5 mL). The combined organic layers were washed with brine (2 x 5 mL), dried over Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (15:1 to 5:1 petroleum ether:ethyl acetate) to afford the title compound (400 mg, 59% yield) as white solid.1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.72 - 7.78 (m, 1 H) 7.38 - 7.46 (m, 1 H) 6.26 (dd, J = 11.6, 1.53 Hz, 1 H) 3.93 - 4.00 (m, 3 H) 2.60 (d, J = 8.8 Hz, 3 H).

Reference： [1]Current Patent Assignee: FLARE THERAPEUTICS - WO2022/187203, 2022, A1 Location in patent: Paragraph 00100; 00101
[2]Current Patent Assignee: FLARE THERAPEUTICS - WO2022/187203, 2022, A1 Location in patent: Paragraph 00100; 00101

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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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.
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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:
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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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Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H240	Heating may cause an explosion
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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
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H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
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Code	Phrase
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H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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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
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H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
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H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
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H332	Harmful if inhaled
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H336	May cause drowsiness or dizziness
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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