1357634-60-6|9-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole| Ambeed

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CAS No. :	1357634-60-6
Formula :	C₂₄H₂₄BNO₂
M.W :	369.26
SMILES Code :	CC1(C)C(C)(C)OB(C2=CC=CC=C2N3C4=C(C5=C3C=CC=C5)C=CC=C4)O1
MDL No. :	MFCD30737495
InChI Key :	KQQUPCGBWUTWMK-UHFFFAOYSA-N
Pubchem ID :	129319311

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Yield	Reaction Conditions	Operation in experiment
80%		Under the protection of nitrogen atmosphere,2-bromobenzoxazole10mmol and bis(pinacol) diboron 10mmol were added to the three-necked bottle.Add 50 mL of dioxane to stir to dissolve, and pass nitrogen for 30 min. Add potassium acetate 10mmol,The temperature was raised to 100 ° C and the reaction was stirred for 12 h.The crude product was purified by silica gel column chromatography.The eluent is a 2:1 dichloromethane-n-hexane mixed solvent. A white crystalline product was obtained in a yield of 80percent.
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate; In 1,4-dioxane; at 80℃; for 24h;Inert atmosphere;	A mixture of <strong>[902518-11-0]9-(2-bromophenyl)-9H-carbazole</strong> (10 g,31.04 mmol), 4,4,40,40,5,5,50,50-octamethyl-2,20-bi(1,3,2-dioxaborolane) (10.25 g, 40.35 mmol), 1,10-bis(diphenylphosphino)ferrocene-palladium(II) dichloride dichloromethanecomplex (0.76 g, 0.93 mmol), potassium acetate (9.14 g,93.11 mmol), and anhydrous 1,4-dioxane (180 mL) was degassedwith nitrogen for 1 h while stirring. The reaction mixture was thenmaintained under a nitrogen atmosphere at 80 C for 24 h. Themixture was diluted with dichloromethane and washed thrice withdistilled water (100 mL). The organic layer was dried over anhydrousMgSO4 and evaporated in vacuo to yield the crude product,which was purified through column chromatography usingdichloromethane/n-hexane to obtain a white powder. Other intermediatecompounds, 3,6-dimethyl-9-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole and 3,6-di-tert-butyl-9-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9Hcarbazolewere prepared by similar procedures described above.1H NMR (500 MHz, CDCl3): d 0.79 (s, 12H), 7.18 (d, 2H, J 12 Hz),7.25 (t, 2H, J 18 Hz), 7.37 (t, 2H, J 18 Hz), 7.53 (t, 2H, J 18 Hz),7.69 (t, 1H, J 16 Hz), 7.96 (d, 1H, J 12 Hz), 8.14 (d, 2H, J 12 Hz).
	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80℃; for 24h;Inert atmosphere;	A mixture of <strong>[902518-11-0]9-(2-bromophenyl)-9H-carbazole</strong> (10 g,31.04 mmol), 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane) (10.25 g, 40.35 mmol), 1,1'-bis(diphenylphosphino)ferrocene-palladium(II) dichloride dichloromethane complex(0.76 g, 0.93 mmol), potassium acetate (9.14 g, 93.11 mmol),and anhydrous 1,4-dioxane (180 ml) was degassed with nitrogenfor 1 h while stirring. The reaction mixture was then maintained innitrogen at 80 °C for 24 h. The mixture was diluted withdichloromethane and washed with distilled water (100 mL) threetimes. The organic layer was dried over anhydrous MgSO4 andevaporated in vacuo to give the crude product, which was purifiedby column chromatography using dichloromethane/n-hexane andgave a white powder.1H NMR (500 MHz, CDCl3): delta 0.79 (s, 12H), 7.18 (d, 2H, J = 12 Hz),7.25 (t, 2H, J = 18 Hz), 7.37 (t, 2H, J = 18 Hz), 7.53 (t, 2H, J = 18 Hz),7.69 (t, 1H, J = 16 Hz), 7.96 (d, 1H, J = 12 Hz), 8.14 (d, 2H, J = 12 Hz).13C NMR (CDCl3): delta 24.4, 83.4, 109.7, 119.1, 119.9, 123.1, 125.5, 127.6,128.6, 132.1, 136.3, 142.1, 142.4.

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Code	Phrase
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P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
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P263	Avoid contact during pregnancy/while nursing.
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Code	Phrase
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P322
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P378
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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.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
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:
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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.
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P401
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P411 + P235	Keep cool.
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.: 1357634-60-6

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CAS No.: 1357634-60-6

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[ 1357634-60-6 ] Synthesis Path-Downstream 1~2

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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