[ CAS No. 1080632-76-3 ] {[proInfo.proName]}

Name: 1080632-76-3|2-([1,1':4',1''-Terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|97%
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SKU: A254301
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Quality Control of [ 1080632-76-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1080632-76-3 ]

Product Details of [ 1080632-76-3 ]

CAS No. :	1080632-76-3	MDL No. :	MFCD16294429
Formula :	C₂₄H₂₅BO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	POKQNZPMVVRGTB-UHFFFAOYSA-N
M.W :	356.27	Pubchem ID :	58160927
Synonyms :

Calculated chemistry of [ 1080632-76-3 ]

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.25
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	113.79
TPSA :	18.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	6.16
Log Po/w (WLOGP) :	5.32
Log Po/w (MLOGP) :	4.1
Log Po/w (SILICOS-IT) :	5.03
Consensus Log Po/w :	4.12

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-6.22
Solubility :	0.000212 mg/ml ; 0.000000596 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.33
Solubility :	0.000166 mg/ml ; 0.000000467 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.99
Solubility :	0.000000368 mg/ml ; 0.000000001 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.53

Safety of [ 1080632-76-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1080632-76-3 ]

* 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.

Upstream synthesis route of [ 1080632-76-3 ]
Downstream synthetic route of [ 1080632-76-3 ]

[ 1080632-76-3 ] Synthesis Path-Upstream 1~4

1
[ 1762-84-1 ]
[ 73183-34-3 ]
[ 1080632-76-3 ]

Yield	Reaction Conditions	Operation in experiment
90%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate In N,N-dimethyl-formamide at 150℃; for 4 h; Inert atmosphere	Compound I-23 (120 g, 388 mmol) in a nitrogen environment, dimethylforamide (DMF) was dissolved in 1.2 L, here bis (pinacolato) diboron (118 g, 466 mmol) and (1,1'-bis (diphenylphosphine) ferrocenedichloropalladium (II) (3.17 g, 3.88 mmol) and into a potassium acetate (114g, 1,164 mmol) was heated to reflux for 4 hours at 150 . After the reaction was completed, the reaction solution into water and then filter the mixture, and dried in a vacuum oven. Thus separated and purified the resulting residue was purified by flash columnchromatography to compound I-24 (124 g, 90percent) was obtained.
82%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In N,N-dimethyl-formamide at 150℃; for 12 h; Inert atmosphere	Synthesis Example 29: Synthesis of Intermediate I-29 4-bromo-p-terphenyl (50 g, 162 mmol, TCI) was dissolved in dimethylforamide (DMF, 1 L) under a nitrogen environment, bis(pinacolato)diboron (49 g, 194 mmol), (1,1′-bis(diphenylphosphine)ferrocene)dichloropalladium (II) (1.3 g, 1.62 mmol), and potassium acetate (40 g, 405 mmol) were added thereto, and the mixture was heated and refluxed at 150° C. for 12 hours. When the reaction was complete, water was added to the reaction solution, and the mixture was filtered and dried in a vacuum oven. This obtained residue was separated and purified through flash column chromatography to obtain Compound I-29 (47 g and 82percent). HRMS (70 eV, EI+): m/z calcd for C₂₄H₂₅BO₂: 356.1948. found: 356. Elemental Analysis: C, 81percent; H, 7percent

Reference： [1] Patent: KR2015/117173, 2015, A, . Location in patent: Paragraph 0284-0286
[2] Patent: US2017/331067, 2017, A1, . Location in patent: Paragraph 0248-0251
[3] Patent: US2017/40550, 2017, A1, . Location in patent: Paragraph 0083

2
[ 5122-94-1 ]
[ 73852-88-7 ]
[ 1080632-76-3 ]

Reference： [1] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 19, p. 9056 - 9064

3
[ 5122-94-1 ]
[ 1080632-76-3 ]

Reference： [1] Patent: KR2015/117173, 2015, A,

4
[ 589-87-7 ]
[ 1080632-76-3 ]

Reference： [1] Patent: KR2015/117173, 2015, A,

[ 1080632-76-3 ] Synthesis Path-Downstream 1~10

1
[ 914362-04-2 ]
[ 1080632-76-3 ]
[ 1082605-88-6 ]

Yield	Reaction Conditions	Operation in experiment
81%	With tetrabutylammomium bromide; cesium fluoride In tetrahydrofuran; water at 120℃; for 0.0833333h; microwave irradiation;

Reference： [1]Aquino, Maurizio; Guerrero, Maria D.; Bruno, Ines; Terencio, Maria C.; Paya, Miguel; Riccio, Raffaele [Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 19, p. 9056 - 9064]

2
[ 5122-94-1 ]
[ 73852-88-7 ]
[ 1080632-76-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 9056 - 9064

3
[ 1080632-76-3 ]
[ 589-87-7 ]
[ 142878-37-3 ]

Yield	Reaction Conditions	Operation in experiment
89%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	30 Synthesis Example 30: Synthesis of Intermediate I-30 Synthesis Example 30: Synthesis of Intermediate I-30 Compound I-29 (50 g, 140 mmol) was dissolved in THF (1 L) under a nitrogen environment, 1-bromo-4-iodobenzene (47 g, 168 mmol) and tetrakis(triphenylphosphine)palladium (1.6 g, 1.4 mmol) were added thereto, and the mixture was stirred. Potassium carbonate saturated in water (48 g, 350 mmol) was added thereto, and the obtained mixture was heated and refluxed at 80° C. for 12 hours. When the reaction was complete, water was added to the reaction solution, and the mixture was extracted with dichloromethane (DCM) and then, filtered after removing moisture with anhydrous MgSO4 and concentrated under a reduced pressure. This obtained residue was separated and purified through flash column chromatography to obtain Compound I-30 (44 g and 89%). HRMS (70 eV, EI+): m/z calcd for C24H17Br: 384.0514. found: 384. Elemental Analysis: C, 75%; H, 4%
83%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran at 80℃; for 10h; Inert atmosphere;	25 Synthesis of intermediate I-25 Nitrogen environment in the compound I-24 (120 g, 337 mmol) to tetrahydrofuran (THF) 1.3 L dissolved after, here in 1-bromo-4-iodobenzene (105 g, 371 mmol) and tetrakis (triphenylphosphine) palladium (3.89 g , 3.37 mmol) and the mixture was stirred. Into the potassuim carbonate (116 g, 843 mmol) in saturated water it was heated to reflux at 80 for 10 hours. After the reaction was completed, the reaction solution into water and extracted with dichloromethane (DCM) and then water was removed with anhydrous MgSO4, filter and was concentrated under reduced pressure. The obtained residue was purified by flash column chromatography to give the Compound I-25 (108 g, 83%).

Reference： [1]Current Patent Assignee: SAMSUNG SDI CO.,LTD. - US2017/331067, 2017, A1 Location in patent: Paragraph 0252-0255
[2]Current Patent Assignee: SAMSUNG SDI CO.,LTD. - KR2015/117173, 2015, A Location in patent: Paragraph 0289-0291

4
[ 1762-84-1 ]
[ 73183-34-3 ]
[ 1080632-76-3 ]

Yield	Reaction Conditions	Operation in experiment
90%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate In N,N-dimethyl-formamide at 150℃; for 4h; Inert atmosphere;	24 Synthesis of intermediate I-24 Compound I-23 (120 g, 388 mmol) in a nitrogen environment, dimethylforamide (DMF) was dissolved in 1.2 L, here bis (pinacolato) diboron (118 g, 466 mmol) and (1,1'-bis (diphenylphosphine) ferrocenedichloropalladium (II) (3.17 g, 3.88 mmol) and into a potassium acetate (114g, 1,164 mmol) was heated to reflux for 4 hours at 150 . After the reaction was completed, the reaction solution into water and then filter the mixture, and dried in a vacuum oven. Thus separated and purified the resulting residue was purified by flash columnchromatography to compound I-24 (124 g, 90%) was obtained.
82%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In N,N-dimethyl-formamide at 150℃; for 12h; Inert atmosphere;	29 Synthesis Example 29: Synthesis of Intermediate I-29 Synthesis Example 29: Synthesis of Intermediate I-29 4-bromo-p-terphenyl (50 g, 162 mmol, TCI) was dissolved in dimethylforamide (DMF, 1 L) under a nitrogen environment, bis(pinacolato)diboron (49 g, 194 mmol), (1,1′-bis(diphenylphosphine)ferrocene)dichloropalladium (II) (1.3 g, 1.62 mmol), and potassium acetate (40 g, 405 mmol) were added thereto, and the mixture was heated and refluxed at 150° C. for 12 hours. When the reaction was complete, water was added to the reaction solution, and the mixture was filtered and dried in a vacuum oven. This obtained residue was separated and purified through flash column chromatography to obtain Compound I-29 (47 g and 82%). HRMS (70 eV, EI+): m/z calcd for C24H25BO2: 356.1948. found: 356. Elemental Analysis: C, 81%; H, 7%
69.8%	With 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate; palladium diacetate In 1,4-dioxane at 80℃; for 3h;	17 General procedure for Miyaura-Ishiyama borylation (exemplified by the synthesis of 2-([1,1':4',1"-terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane) Reference Example 17 General procedure for Miyaura-Ishiyama borylation (exemplified by the synthesis of 2-([1,1':4',1"-terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane) A mixture of an aryl bromide compound (200 mg, 0.646 mmol, 1.0 equiv), palladium(II) acetate (14.4 mg, 0.064 mmol, 10 mol%), 1,1'-bis(diphenylphosphino)ferrocene (35.5 mg, 0.064 mmol, 10 mol%), potassium acetate (126.8 mg, 1.29 mmol, 2.0 equiv), and bis(pinacolato)diboron (197 mg, 0.776 mmol, 1.2 equiv) in dioxane (12 mL) was stirred at 80°C for 3 hr. The reaction mixture was diluted with water and extracted with CH2Cl2. The combined organic layer was washed with brine. The organic layer was dried over Na2SO4, filtered, and concentrated in vacuo. The residue was purified by column chromatography (EtOAc/hexane = 0→18%) to give the titled 2-([1,1':4',1"-terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane as a brown solid (160.8 mg, 0.45 mmol, 69.8% yield). 1H NMR (400 MHz, CDCl3) δ 7.82 (2H, d, J = 8.5 Hz), 7.56-7.64 (8H, m), 7.37-7.41 (2H, m), 7.29-7.31 (1H, m), 1.29 (12H, s).

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate In toluene for 4h; Inert atmosphere; Reflux;

1 _{RRN 13}Synthesis Example 1 RRN 13Synthesis Example 1 Synthesis of 2-([1,1′:4′,1″-terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxabolorane (0083) 200 parts of toluene, 5 parts of 4-bromo-1,1′: 4′,1″-terphenyl, 5 parts of bis(pinacolato)diboron, 3 parts of potassium acetate, and 0.5 parts of [1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloride dichloromethane adduct were mixed and stirred for 4 hours in a nitrogen atmosphere at a reflux temperature. The obtained solution was cooled to room temperature. Then, 20 parts of silica gel were added thereto, and the mixture was stirred for 5 minutes. Then, solid matter was collected by filtration, and the solvent was distilled off under reduced pressure to obtain 5.5 parts of 2-([1,1′: 4′,1″-terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,2,3-dioxabolorane represented by the following formula (100) as a white solid:

Reference： [1]Current Patent Assignee: SAMSUNG SDI CO.,LTD. - KR2015/117173, 2015, A Location in patent: Paragraph 0284-0286
[2]Current Patent Assignee: SAMSUNG SDI CO.,LTD. - US2017/331067, 2017, A1 Location in patent: Paragraph 0248-0251
[3]Current Patent Assignee: KYUSHU UNIVERSITY - EP3888651, 2021, A1 Location in patent: Paragraph 0198; 0199
[4]Current Patent Assignee: NIPPON KAYAKU CO LTD - US2017/40550, 2017, A1 Location in patent: Paragraph 0083

5
[ 1080632-76-3 ]
[ 1853295-29-0 ]
[ 1853294-97-9 ]

Yield	Reaction Conditions	Operation in experiment
72%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In water; toluene at 72℃; for 18.5h; Inert atmosphere; Sonication;	24 Example 24 Synthesis of N, N-bis {4- (naphthalen-1-yl) phenyl} -N- {6- (p -triphenyl-4-yl) biphenyl-3- yl} amine (Compound 1-158) 11.8 g of N, N-bis (biphenyl-4-yl) -N- (6-bromobiphenyl-Toluene 94 mL,Phenylboronic acid 2.7 g,5.9 g of potassium carbonate was dissolved in advanceIn water (36 mL) was added to a nitrogen-substituted reaction vessel,And the nitrogen gas was passed through the ultrasonic wave for 30 minutes.0.74 g of triphenylphosphine palladium was added and heated,And the mixture was stirred at 72 ° C for 18 hours.Cooled to room temperature,The organic layer was collected by a liquid separation operation.The washing with water is carried out in that order,After washing with saturated brine,Dried over anhydrous magnesium sulfate and concentrated to obtain a crude product.Followed by purification by column chromatography,Thereby obtaining 8.4 g (yield 72%) of a white powder of N, N -bis (biphenyl-4-yl) -N- (6-phenylbiphenyl-3-yl) amine (Compound 1-2) . The phenylboronic acid in Example 1 was used instead4- (p -triphenyl) boronic acid pinacol ester,N, N- bis (biphenyl-4-yl) -N- (6- bromo-3-yl) amine was used to replace(6-bromobiphenyl-3-yl) amine, N, N-bis {4- (naphthalen- 1 -yl) phenyl}According to the same conditions,Thereby obtaining N, N-bis {4- (naphth-1-yl) phenyl} -N- {6- (p -triphenyl-4-yl) biphenyl-Of 6.2 g (yield 63%) of a pale yellowish white powder.

Reference： [1]Current Patent Assignee: HODOGAYA CHEMICAL CO LTD - TW2016/32494, 2016, A Location in patent: Paragraph 0909; 0978; 0979; 0980

6
[ 591-18-4 ]
[ 1080632-76-3 ]
[ 1450898-16-4 ]

Yield	Reaction Conditions	Operation in experiment
90%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	33 Synthesis Example 33: Synthesis of Intermediate I-33 Synthesis Example 33: Synthesis of Intermediate I-33 Compound I-29 (50 g, 140 mmol) was dissolved in THF (1 L) under a nitrogen environment, 1-bromo-3-iodobenzene (47 g, 168 mmol) and tetrakis(triphenylphosphine)palladium (1.6 g, 1.4 mmol) were added thereto, and the mixture was stirred. Potassium carbonate saturated in water (48 g, 350 mmol) was added thereto, and the obtained mixture was heated and refluxed at 80° C. for 12 hours. When the reaction was complete, water was added to the reaction solution, and the mixture was extracted with dichloromethane (DCM) and then, filtered after removing moisture with anhydrous MgSO4 and concentrated under a reduced pressure. This obtained residue was separated and purified through flash column chromatography to obtain Compound I-33 (46 g and 90%). HRMS (70 eV, EI+): m/z calcd for C24H17Br: 384.0514. found: 384. Elemental Analysis: C, 75%; H, 4%

Reference： [1]Current Patent Assignee: SAMSUNG SDI CO.,LTD. - US2017/331067, 2017, A1 Location in patent: Paragraph 0264-0267

7
[ 1080632-76-3 ]
[ CAS Unavailable ]
[ 2314359-59-4 ]

Yield	Reaction Conditions	Operation in experiment
65%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran; water at 80℃; for 16h;	1 Synthesis of Compound 3 4.77 g (10 mmol) of Intermediate 1-5, 3.56 g (10 mmol) of 2-al, 1:4,1 “-terphenyl] -4-yl)-4,4,5,5-tetramethyl- 1,3,2-dioxaborolane, 0.58 g (0.5 mmol) of Pd(PPh3)4, and4.14 g (30 mmol) of K2C03 were dissolved in 60 mE of a mixed solution of tetrahydrofuran (THF)/H20 (volume ratio of 2/1) and stirred at a temperature of 80° C. for 16 hours. The reaction solution was cooled to room temperature, and 40 mE of water was added thereto. Then, an organic layer was extracted therefrom three times by using SOmE of ethyl ether. The extracted organic layer was dried by using magnesium sulfate, and a solvent was evaporated therefrom. Then, a residue obtained therefrom was separated and purified by silica gel column chromatography to obtain 4.08 g (yield: 65%) of Compound 3. The obtained compound was identified by mass spectrometry/fast atom bombardment(MS/FAR) and ‘H nuclear magnetic resonance spectroscopy(NMR). C47H30FN cal. 627.24, found 627.25.

Reference： [1]Current Patent Assignee: SAMSUNG ELECTRONICS CO.,LTD.; Samsung Display (in: Samsung) - US2019/131544, 2019, A1 Location in patent: Paragraph 0388; 0399; 0400

8
[ 1080632-76-3 ]
[ 136630-39-2 ]
[ 912844-88-3 ]
2-([1,1'-biphenyl]-3-yl)-7-([1,1':4,1"-terphenyl]-4-yl)-9H-carbazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		The compound (2) of the present invention can be synthesized by the following method.1) In a 500ml three-neck bottle,Add 2,7-dibromo-9H-carbazole(32.50g, 100mmol),[1,1':4,1"-terphenyl]-4-borate(35.60g, 100mmol),Potassium carbonate (27.64 g, 200 mmol), 150 g of toluene, 75 g of ethanol,75 g of water, adding tetrakis(triphenylphosphine)palladium under N2 protection,After reacting at 85 C for 12 h, the reaction was completed by TLC and the temperature was lowered.After the temperature was lowered to room temperature, [1,1'-biphenyl]-3-borate (29.62 g, 100 mmol) was added to a three-necked flask, and reacted at 85 C for 12 h, and the reaction was confirmed by TLC.After cooling to room temperature, the reaction solution was washed twice with water (200 ml).The organic phase is obtained by liquid separation, and decolorization by adding activated carbon.Filtration, distilling off the solvent under reduced pressure, and then recrystallizing twice with ethyl acetate.Drying under vacuum gave the intermediate 2-([1,1'-biphenyl]-3-yl)-7-([1,1':4,1"-terphenyl]-4-yl)-9H- Carbazole.

Reference： [1]Patent: CN109810120,2019,A .Location in patent: Paragraph 0108-0110

9
[ 1080632-76-3 ]
[ 136630-39-2 ]
[ 912844-88-3 ]
C₆₆H₄₃N₃S [ No CAS ]

Reference： [1]Patent: CN109810120,2019,A

10
[ 1080632-76-3 ]
[ 1821147-82-3 ]
[ 2766609-90-7 ]

Yield	Reaction Conditions	Operation in experiment
48%	With tetrakis-(triphenylphosphine)-palladium; potassium carbonate In ethanol; lithium hydroxide monohydrate; toluene at 140℃; for 2h;	6 Example 6: Preparation of compound H2-67 2-Chloro-4-(phenanthren-2-yl)-6-phenyl-1,3,5-triazine (4.5 g, 12.23 mmol), 2-([1,1':4',1" -Terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (4.3g, 12.23mmol), Pd(PPh3)4( 0.7 g, 0.611 mmol), K2CO3 (5 g, 36.70 mmol), 80 mL of toluene, 20 mL of ethanol, and 20 mL of water were added to the flask, dissolved and then refluxed at 140° C. for 2 hours. After the reaction was complete, the mixture was Cooled to room temperature, and the resulting solid was filtered under reduced pressure. The solid was dissolved in chlorobenzene, filtered through silica with MC, and recrystallized with o-xylene to obtain 3.3 g of compound H2-67 (yield: 48%)

Reference： [1]Current Patent Assignee: DUPONT DE NEMOURS INC - CN114380734, 2022, A Location in patent: Paragraph 0176-0179

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P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
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:
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.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
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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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. 1080632-76-3 ] {[proInfo.proName]}

Quality Control of [ 1080632-76-3 ]

Related Doc. of [ 1080632-76-3 ]

Product Details of [ 1080632-76-3 ]

Calculated chemistry of [ 1080632-76-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1080632-76-3 ]

Application In Synthesis of [ 1080632-76-3 ]

[ 1080632-76-3 ] Synthesis Path-Upstream 1~4

[ 1080632-76-3 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 1080632-76-3 ]

Organoboron

Aryls

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 1080632-76-3 ]