[ CAS No. 236389-21-2 ] {[proInfo.proName]}

Name: 236389-21-2|9,9'-Spirobifluorene-2-boronic Acid|95%
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Quality Control of [ 236389-21-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 236389-21-2 ]

Product Details of [ 236389-21-2 ]

CAS No. :	236389-21-2	MDL No. :	MFCD13248568
Formula :	C₂₅H₁₇BO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WDDLHUWVLROJLA-UHFFFAOYSA-N
M.W :	360.21	Pubchem ID :	22564369
Synonyms :

Calculated chemistry of [ 236389-21-2 ]

Physicochemical Properties

Num. heavy atoms :	28
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.04
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	112.57
TPSA :	40.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	5.28
Log Po/w (WLOGP) :	3.71
Log Po/w (MLOGP) :	4.09
Log Po/w (SILICOS-IT) :	3.94
Consensus Log Po/w :	3.4

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.97
Solubility :	0.000388 mg/ml ; 0.00000108 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.88
Solubility :	0.000475 mg/ml ; 0.00000132 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-9.05
Solubility :	0.000000324 mg/ml ; 0.0000000009 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.03

Safety of [ 236389-21-2 ]

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 [ 236389-21-2 ]

* 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 [ 236389-21-2 ]

[ 236389-21-2 ] Synthesis Path-Downstream 1~15

1
[ 121-43-7 ]
[ 171408-76-7 ]
9,9'-spirobi[9H-fluoren]-2'-yl-boronic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%	Stage #1: 2-bromo-9,9'-spirobifluorene With n-butyllithium In diethyl ether at -78 - 20℃; for 0.5h; Stage #2: Trimethyl borate In diethyl ether at -78 - -10℃; Stage #3: With hydrogenchloride In diethyl ether; water at -10℃;	1.a Synthesis of spiro-9,9'-bifluorene-2-boronic acid To a solution, cooled to -78° C., of 103 g (264 mmol) of 8 2-bromo-9-spirobifluorene in 1500 ml of 9 diethyl ether are added dropwise 107 ml (2764 mmol) of 10 n-butyllithium (2.5 M in 11 hexane). The reaction mixture is stirred at -78° C. for 30 min. The mixture is allowed to come to room temperature and cooled again to -78° C., and then a mixture of 40 ml (351 mmol) of 12 trimethyl borate in 50 ml of diethyl ether is added rapidly. After warming to -10° C., hydrolysis is effected with 135 ml of 2 N 13 hydrochloric acid. The organic phase is removed, washed with water, dried over sodium sulphate and concentrated to dryness. The residue is taken up in 300 ml of 14 n-heptane, and the colourless solid is filtered off with suction, washed with n-heptane and dried under reduced pressure. Yield: 93.4 g (249 mmol), 97% of theory; purity: 99% by HPLC.
81%	Stage #1: 2-bromo-9,9'-spirobifluorene With n-butyllithium In tetrahydrofuran at -78 - 0℃; for 1h; Stage #2: Trimethyl borate In tetrahydrofuran at -78 - 20℃; for 12h; Stage #3: With hydrogenchloride In tetrahydrofuran; water for 0.5h;	2 Synthesis of intermediate C Intermediate B is dissolved in anhydrous THF, cooled to -78 of reaction, after the n-BuLi was added dropwise slowly, and the reaction was stirred for 1 hour at 0 .Thereafter, the lower the temperature of the reaction to -78 added dropwise trimethyl borate, and stirred at room temperature for 12 hours after. After the reaction was completed into a 2N-HCl aqueous solution, extracted with ether, then stirred for 30 minutes.Removing water in the organic layer over anhydrous MgSO4 and then filtered under reduced pressure, concentrate the organic solvent and column chromatography and the resulting compound to recrystallization to obtain the desired intermediate C (yield: 81%).
76%	Stage #1: 2-bromo-9,9'-spirobifluorene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: Trimethyl borate In tetrahydrofuran at -78 - 20℃; Stage #3: With water	4 <Synthesis of Intermediate 108-5> 88.57g (224.06mmol) of the intermediate 108-4 was dissolved in 900ml of THF, maintained at -78°C using a dryice-acetone bath, and 99ml (246.47mmol) of 2.5M n-BuLi was added dropwise. After 1 hour, 27.94 g (268.87 mmol) of trimethylborate was slowly dropped. After completion of the reaction, the temperature was raised to room temperature, and after distillation of the solvent, the mixture was extracted with 1L of water and 1L of EA. The solvent was distilled and recrystallized from PE/MC to obtain 61.34 g of intermediate 108-5 in a yield of 76%.

	With sulfuric acid; magnesium In tetrahydrofuran; ice-water	c (c) (c) Synthesis of 9,9'-spirobifluorene-2-boronic Acid 1.84 g of magnesium turnings and a few crystals of iodine were introduced into a 2000 ml four-necked flask fitted with reflux condenser and dropping funnel which had been dried by heating and blanketed with N2. About 25 ml of a solution of 30.0 g of 2-bromo-9,9'-spirobifluorene in 120 ml of dry THF were firstly added dropwise as quickly as possible, and the mixture was heated at the drop addition point. After the reaction had commenced, the remainder of the starting-material solution was added at such a rate that the reaction mixture boiled of its own accord. About 1100 ml of THF were subsequently added, and the mixture was then refluxed for 2 hours. The clear Grignard solution was cooled to room temperature and added dropwise to a mixture of 8.68 g of freshly distilled trimethyl borate in about 100 ml of THF under N2 in a 2000 ml four-necked flask over the course of four hours at such a rate that the internal temperature was between -70 and -75° C. The batch was then slowly warmed to room temperature. 100 g of ice-water/3 ml of 95-97% H2SO4 were added to the white suspension. The undissolved, inorganic precipitate was filtered off with suction and rinsed, and the mother liquor was extracted twice with aqueous NaCl solution. The organic phase was dried over MgSO4, and the solvent was stripped off. The crude product obtained was purified by stirring twice with hexane and twice with acetonitrile at elevated temperature. After drying, the product was obtained as a white powder. Yield: 21 g (77%). 1H-NMR (400 MHz, d-DMSO): δ=8.03-8.01 (pdd, 2H), 7.99-7.97 (pdd, 1H), 7.89 (s, 1H), 7.88-7.86 (pdd, 1H), 7.42-7.38 (m, 3H), 7.16-7.11 (m, 3H), 7.08 (ps, 1H), 6.60-6.59 (m, 3H).
7 g	With n-butyllithium In tetrahydrofuran at -78℃;	Starting material for the synthesis of compound 1, 9,9'-spirobifluorene-2'-ylboronic acid (compound 1A): Take 10 grams of 2-bromo-9,9'-spirobifluorene and 100 ml of anhydrous tetrahydrofuran was added to a 1 liter flask,Cooled to -78 ° C with liquid nitrogen,20.2 ml of n-butyllithium and trimethyl borate are slowly added dropwise with stirring,After the natural return to room temperature,Add appropriate amount of dilute hydrochloric acid hydrolysis,Then extracted with ethyl acetate,The organic layer was separated, dried over anhydrous sodium sulfate, and the solvent was removed under reduced pressure. 7 g of product was eluted with hexane.
	Stage #1: 2-bromo-9,9'-spirobifluorene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: Trimethyl borate In tetrahydrofuran at -78 - 20℃; for 1h; Inert atmosphere; Stage #3: In tetrahydrofuran Acidic conditions; Inert atmosphere;	1.1 Bis[2-(9,9'-spirobifluorene-2-yl)-5-trifluoromethylpyridine-C3,N]guanidine (pentanedione) (Complex 5)Synthesis of bis[2-(9,9'-spirobifluorene-2-yl)-5-trifluoromethylpyridine-C3,N]indole (2-pyridine acid) (complex 6): (1) 2-Bromo-9,9'-spirobifluorene (compound 1) was added successively to a 100 mL round bottom flask under argon atmosphere(11.85g, 30mmol) was dissolved in 230ml tetrahydrofuran and cooled to -78°C.After dropwise addition of n-butyllithium (1.6M, 28.1 ml, 45 mmol), the reaction was carried out for 1 hour.Trimethyl borate (8.83 g, 45 mmol) was added in one portion. After 30 minutes of reaction, the temperature was raised to room temperature and the reaction was continued for 30 minutes. The mixture was treated with dilute acid, extracted with ether, dried and concentrated. The solid was separated by silica gel column chromatography to give 9,9-spirobifluorene-2-boronic acid as a white solid (Compound 2) in a yield of 71.3 w%.

Reference： [1]Current Patent Assignee: MERCK KGAA - US2019/106391, 2019, A1 Location in patent: Paragraph 0186-0187
[2]Current Patent Assignee: MATERIAL SCIENCE CO LTD - KR101555155, 2015, B1 Location in patent: Paragraph 0080; 0081; 0082; 0083; 0084
[3]Current Patent Assignee: NANJING TOPTO SEMICONDUCTOR MATERIAL CO LTD - KR2020/108161, 2020, A Location in patent: Paragraph 0276; 0287-0290
[4]Current Patent Assignee: MERCK KGAA - US2003/65190, 2003, A1
[5]Current Patent Assignee: E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. - CN106957272, 2017, A Location in patent: Paragraph 0060; 0061
[6]Current Patent Assignee: BEIJING INSTITUTE OF GRAPHIC COMMUNICATION - CN104788499, 2018, B Location in patent: Paragraph 0016; 0044; 0046

2
[ 236389-21-2 ]
[ 600172-86-9 ]
[ 1618670-96-4 ]

Yield	Reaction Conditions	Operation in experiment
73%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In tetrahydrofuran; water at 100℃; for 24h; Inert atmosphere;
72.7%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In tetrahydrofuran at 110℃; for 16h; Schlenk technique; Inert atmosphere;	1 Step two (see the synthesis route B): Weigh 0.25g (0.23mmol) B, 0.29g (0.81mmol) 9,9'- spirobifluorene 2-boronic acid, 50mgPd (PPh 3) 4Join 100mLSCHLENK tube pumping air into nitrogen and through, and under a nitrogen atmosphere were added successively N2Treated in tetrahydrofuran 20mL, 5mL 2M sodium carbonate solution, and was gradually heated to 110 deg.] C, and reacted at this temperature for 16h, cooled to room temperature, the reaction mixture was extracted with dichloromethane, the organic phase was collected and dried over anhydrous magnesium sulfate, concentrated and the crude product was purified by thin layer chromatography plates, mobile phase methylene chloride: petroleum ether = 1: 8, finally get HuangBo solid 0.3g, 72.7% yield, characterized by NMR analysis, the product was the target product Ia

Reference： [1]Yao, Chunliang; Yu, Yue; Yang, Xiaolong; Zhang, Huiming; Huang, Zuan; Xu, Xianbin; Zhou, Guijiang; Yue, Ling; Wu, Zhaoxin [Journal of Materials Chemistry C, 2015, vol. 3, # 22, p. 5783 - 5794]
[2]Current Patent Assignee: XI AN JIAOTONG UNIVERSITY - CN103923637, 2016, B Location in patent: Paragraph 0050-0051

3
[ 236389-21-2 ]
[ 589-87-7 ]
[ 1239585-39-7 ]

Yield	Reaction Conditions	Operation in experiment
77%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran for 24h; Reflux;	4 Synthesis of intermediate E And Intermediate C Injecting by 1-bromo-4-iodobenzene, and respectively insert the 1mol Pd (PPh3) 4, 2M K2CO3, THF, respectively, and then refluxed for 24 hours. When the reaction is complete cool the temperature of the reaction to room temperature, CH2Cl2 and with water, the organic layer was concentrated to an organic solvent and then dried compound was purified by column chromatography and recrystallization, which is generated by over anhydrous MgSO4 and extracted to give the desired intermediate E (Yield: 77%) .
76%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 100℃;	4 Synthesis of Intermediate-19 Combine 36 g (100 mmol, 1.0 eq.) of 9,9'-spirobifluorene-2-boronic acid and 31.1 g (110 mmol, 1.1 eq.) of bromoiodobenzene,Add to a 3L three-necked flask and dissolve by adding 1400 ml of toluene and 140 ml of ethanol.After nitrogen was passed for 15 minutes, 150 ml of a 2M aqueous solution containing 41.5 g (300 mmol, 3.0 eq.) of K2CO3 was added, and finally 2.3 g of Pd(PPh3)4 (2 mol %) was added.The temperature was raised to 100°C and the reaction ended overnight. Add activated carbon adsorption, suction filtration, remove the solvent,It was dried and recrystallized from toluene and ethanol to give 35.8 g of Intermediate-19 with a yield of 76%.
72%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 110℃;	3 [Reaction formula 15] 36 g (100 mmol, 1.0 eq.) of 9,9'-spirobifluorene-2-boronic acid and 31.1 g (110 mmol, 1.1 eq.) of p-bromoiodobenzene were added to a 3L three-necked flask and 1400 ml of toluene and 140 ml of ethanol were added. Dissolve, pass nitrogen for 15 minutes,A further 150 ml of a 2M aqueous solution containing 41.5 g (300 mmol, 3.0 eq.) of K2CO3 and finally 2.3 g of Pd(PPh3)4 (2 mol %) are added. The temperature was raised to 110°C and the reaction was completed overnight.Activated carbon adsorption was added, suction filtration, solvent removal, drying, recrystallization with toluene and ethanol, 33.9 g of Intermediate-13 were obtained with a yield of 72%.

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 100℃; for 8h;

3 (3) In the reaction flask, add 9,9-spirobifluorene-2-boronic acid (100mmol), p-bromoiodobenzene (100mmol), 0.9g (0.785mmol, 0.5%) tetratriphenylphosphine palladium, toluene 500mL, 200mL of ethanol, 200mL of water and 40g (300mmol) of potassium carbonate, react at 100°C for 8h; after the reaction is complete, stop the reaction; cool to room temperature, separate the organic phase, concentrate, and silica gel column chromatography to obtain white powder M5;

Reference： [1]Current Patent Assignee: MATERIAL SCIENCE CO LTD - KR101555155, 2015, B1 Location in patent: Paragraph 0091; 0092; 0093; 0094
[2]Current Patent Assignee: NANJING TOPTO SEMICONDUCTOR MATERIAL CO LTD - CN108101898, 2018, A Location in patent: Paragraph 0148; 0154-0157
[3]Current Patent Assignee: NANJING TOPTO SEMICONDUCTOR MATERIAL CO LTD - CN108101897, 2018, A Location in patent: Paragraph 0119; 0133-0136
[4]Current Patent Assignee: YANTAI XIANHUA CHEM-TECH CO LTD - CN111217739, 2020, A Location in patent: Paragraph 0113; 0116

4
[ 236389-21-2 ]
[ 1052686-21-1 ]
[ 2004716-89-4 ]

Yield	Reaction Conditions	Operation in experiment
92.2%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In water; toluene at 100℃; Inert atmosphere;	3 Example 3 To the reaction vessel was added 1 g (10.0 g, 17.8 mmol) in that order,89a (7.1 g, 19.6 mmol),Pd (PPh3) 4 (432.2 mg, 0.35 mmol),K2CO3 (6.14 g, 44.5 mmol),Toluene (300 mL) and water (150 mL)Deaerating the device,Through nitrogen protection,The reaction was then heated to 100 ° C overnight.With the proportion of DCM: PE = 1: 5 Dianban,The product point in the 365 nm wavelength of ultraviolet light issued a strong blue light,Rf value of 0.2 or so.The reaction solution was filtered through a pad of silica gel,The filter cake was then washed twice with ethyl acetate (100 mL)Liquid separation,The aqueous layer was extracted once with ethyl acetate (100 mL)The organic layers were combined,The organic phase was again washed with water (200 mL).The solvent was removed by spinning.The crude product was recrystallized from 120 ml of DCM / MeOH,Filtered and filtered to obtain 13.1 g of a yellow solid powder,The purity was 98.7%Yield 92.2%.Vacuum distillation to obtain 99.7% purity light yellow solid powder.
92.2%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In water; toluene at 100℃; Inert atmosphere;	3 Example 3 To the reaction vessel was added 1 g (10.0 g, 17.8 mmol) in that order,89a (7.1 g, 19.6 mmol),Pd (PPh3) 4 (432.2 mg, 0.35 mmol),K2CO3 (6.14 g, 44.5 mmol),Toluene (300 mL) and water (150 mL)Deaerating the device,Through nitrogen protection,The reaction was then heated to 100 ° C overnight.Using DCM:PE = 1: 5 ratio of the dot,The product point in the 365 nm wavelength of ultraviolet light issued a strong blue light,Rf value of 0.2 or so.The reaction solution was filtered through a pad of silica gel,The filter cake was then washed twice with ethyl acetate (100 mL)Liquid separation,The aqueous layer was extracted once with ethyl acetate (100 mL)The organic layers were combined,The organic phase was again washed with water (200 mL).The solvent was removed by spinning.The crude product was recrystallized from 120 ml of DCM / MeOH,Filtered and filtered to obtain 13.1 g of a yellow solid powder,The purity was 98.7%Yield 92.2%.Vacuum distillation to obtain 99.7% purity light yellow solid powder.
92.2%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In water; toluene at 100℃; Inert atmosphere;	3 Synthesis of Compound 89 Add 1 g (10.0 g, 17.8 mmol), 89a (7.1 g, 19.6 mmol), Pd(PPh3)4 (432.2 mg, 0.35 mmol), K2CO3 (6.14 g, 44.5 mmol), toluene (300 mL) and water (150 mL) successively to a reaction tank. After deoxygenization of the device and introduction of nitrogen, heat to 100 V for reaction overnight, apply to the plates at a ratio of DCM:PE=1:5. The product gives out intensive blue light under UV light at 365 nm wavelength, with the Rf value at about 0.2. Perform suction filtration with the reaction solution, wash the filter cake with ethyl acetate (100 mL) twice and separate. Extract the aqueous layer with ethyl acetate (100 mL) once, combine the organic layers, then wash the organic layer once with water (200 mL). spin dry to remove the solvent. The crude product is recrystallized from 120 ml DCM/MeOH, then suction filtration is performed to get 13.1 g yellow solid powder, with a purity of 98.7% and a yield of 92.2% yield. After vacuum sublimation, a slight yellow solid powder with purity of 99.7% is obtained. m/z=797.

Reference： [1]Current Patent Assignee: GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO LTD; BEIJING AGLAIA TECHNOLOGY DEVELOPMENT CO., LTD. - TW2016/32488, 2016, A Location in patent: Paragraph 0037
[2]Current Patent Assignee: BEIJING AGLAIA TECHNOLOGY DEVELOPMENT CO., LTD.; GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO LTD - TW2016/32487, 2016, A Location in patent: Paragraph 0034
[3]Current Patent Assignee: BEIJING AGLAIA TECHNOLOGY DEVELOPMENT CO., LTD.; GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO LTD - US2019/263735, 2019, A1 Location in patent: Paragraph 0051-0052

5
[ 236389-21-2 ]
[ 123784-69-0 ]
[ 2138315-83-8 ]

Yield	Reaction Conditions	Operation in experiment
85%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 120℃; for 3h;	3 Synthesis of Compound 3-1 To a reaction vessel was added dibromide (7.3 g, 20 mmol), compound c (15.8 g, 44 mmol), tetrakis (triphenylphosphine) palladium (0.7 g, 1.08 mmol), potassium carbonate (10.6 g, 76 mmol) Toluene 100 mL, 30 mL of ethanol and 30 mL of distilled water, and the mixture was stirred at 120 ° C for 3 hours. The reaction was terminated, washed with distilled water, and the organic layer was extracted with ethyl acetate.The organic layer of the extracted organic layer was dried over anhydrous magnesium sulfate, and then the solvent was spin-dried in a rotary evaporator to obtain 14.2 g of compound 3-1 in a yield of 85%

Reference： [1]Current Patent Assignee: JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO LTD - CN107162869, 2017, A Location in patent: Paragraph 0089-0091

6
[ 5419-55-6 ]
[ 171408-76-7 ]
9,9'-spirobi[9H-fluoren]-2'-yl-boronic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94.4%	Stage #1: Triisopropyl borate; 2-bromo-9,9'-spirobifluorene With n-butyllithium at -78℃; for 1.33333h; Stage #2: With ammonium chloride	9 2-Bromo-9,9-spirobifluorene (3.95 g, 10 mmol), triisopropyl borate (2.56 g, 12 mmol),After mixing and cooling to -78 degrees Celsius, 2.5 M (4.8 ml) of n-butyllithium was added dropwise, and the addition was completed in about 20 minutes. After incubation for 1 hour, 0.5 ml of saturated ammonium chloride solution was quenched and the pH was adjusted to 2. Extract with dichloromethane, concentrate, wash with petroleum ether. White solid (3.4 g, yield 94.4%) was obtained.
80%	Stage #1: 2-bromo-9,9'-spirobifluorene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: Triisopropyl borate In tetrahydrofuran for 1h;	8 [Example 8 Synthesis of Compound D7 2-Bromo-9,9-spirobifluorene (16.7 g, 42.4 mmol) was added to a three-neck bottle.Add 100 mL of THF, protect with nitrogen, and stir at -78 °C for 30 minutes.Then, 21 mL of n-butyllithium (2.5 M) was added and reacted for 1 hour.Add 7g of triisopropyl borate and react at low temperature for 1 hour.Gradually return to room temperature. After the treatment, 2M hydrochloric acid was added to the system to make the pH of the solution 4-5, and the solution was separated and the aqueous layer was extracted with ethyl acetate.Combine the organic layers and spin them dry.2-boronic acid-9,9-spirobifluorene(12.2 g, yield 80%).

Reference： [1]Current Patent Assignee: BEIJING ETERNAL MATERIAL TECHNOLOGY CO LTD - CN107759527, 2018, A Location in patent: Paragraph 0093; 0094
[2]Current Patent Assignee: CHANGCHUN HAIPU RUNSI TECHNOLOGY CO LTD - CN108586368, 2018, A Location in patent: Paragraph 0109; 0110; 0111

7
[ 236389-21-2 ]
[ 1110690-60-2 ]
[ 2234335-69-2 ]

Yield	Reaction Conditions	Operation in experiment
79%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 100℃; for 16h; Inert atmosphere;	4.1 (1) Synthesis of Intermediate-30 37.3 g (100 mmol, 1.1 eq.) of 4-bromo-6-iododibenzofuran and 32.7 g (90.9 mmol, 1.0 eq.) of 9,9'-spirobifluorene-2-boronic acid were added to 3 L of three The flask was dissolved by adding 1400 ml of toluene and 140 ml of ethanol, and nitrogen gas was passed for 15 minutes, and then 136.4 ml of 2M aqueous solution containing 37.7 g (272.7 mmol, 3.0 eq.) of K2CO3 was added, and finally added.2.1 g Pd (PPh3) 4 (2 mol%). The temperature was raised to 100 ° C and the reaction was completed overnight for 16 hours. Adsorption with activated carbon, suction filtration, solvent removal, drying, recrystallization from toluene and ethanol afforded 40.3 g of Intermediate-30, yield 79%.
76%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; toluene at 100℃; Inert atmosphere;	4.1 (1) Synthesis of Intermediate-24 36 g (100 mmol, 1.0 eq.) of 9,9'-spirobifluorene-2-boronic acid and 41 g (110 mmol, 1.1 eq.) of 4-bromo-6-iododibenzofuran were added to a 3 L three-neck flask Add 1600 ml of toluene and 160 ml of ethanol to dissolve, pass nitrogen for 15 minutes, add 150 ml of 2M aqueous solution containing 41.5 g (300 mmol, 3.0 eq.) of K2CO3, and finally add 2.3 g of Pd(PPh3)4 (2 mol %). The temperature was raised to 100°C and the reaction ended overnight. Activated carbon was added for adsorption, suction filtration, solvent removal, drying, and recrystallization from toluene and ethanol gave 42.7 g of Intermediate-24 in a 76% yield.

Reference： [1]Current Patent Assignee: NANJING TOPTO SEMICONDUCTOR MATERIAL CO LTD - CN108178763, 2018, A Location in patent: Paragraph 0190; 0191; 0193; 0194
[2]Current Patent Assignee: NANJING TOPTO SEMICONDUCTOR MATERIAL CO LTD - CN108101896, 2018, A Location in patent: Paragraph 0166-0170

8
[ 236389-21-2 ]
[ 3842-55-5 ]
[ 1207176-84-8 ]

Yield	Reaction Conditions	Operation in experiment
86%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran; water at 60℃; Inert atmosphere;	1 (Example 1 ) Synthesis of Compounds 1 to 3 (1) Synthesis of Compound 1 2-(9,9'-spirobi[fluoren]-2-yl)-4,6-diphenyl-l ,3,5-triazine (SF2-TRZ) A mixture of 2-chloro-4,6-diphenyl-l,3,5-triazine (1.34 g, 5.01 mmol), 9,9'-spirobi[fluoren]-2-ylboronic 5 acid (1.89 g, 5.26 mmol), Pd(PPh3)4 (0.3 g, 0.27 mmol) and potassium carbonate (1.38 g, 10.02 mmol) in 30 ml of THF and 10 ml of distilled water in a 100 ml round bottom was refluxed for 6 hours under argon. The mixture was extracted with chloroform. The combined organic extracts were dried over Na2S04 and concentrated by rotary evaporation. The crude product was purified by column chromatography on silica gel using 1 :4 ethyl acetate/petroleum as eluent to afford a white solid SF2-TRZ (2.36 g, 86 % yield). NMR (500 MHz, DMSO-d6) δ (ppm): 8.89 (d, J = 8.0 Hz, 1H) 8.55 (d, J = 8.5 Hz, 4H) 8.34 (d, J= 8.0 Hz, 1H) 8.20 (d, J= 7.5 Hz, 1H) 8.13 (d, J= 7.5 Hz, 2H) 7.86 (s, 1H) 7.70-7.57 (m, 6H) 7.52-7.42 (m, 3H) 7.26-7.14 (m, 3H) 6.73 (d, J = 7.5 Hz, 2H) 6.65 (d, J = 7.5 Hz, 1H). 13C NMR (125 MHz, DMSO-d6) 6(ppm): 171.3, 171.2, 150.0, 149.1, 148.0, 146.7, 141.8, 140.5, 135.7, 135.5, 133.4, 129.9, 129.7, 129.4, 128.9, 128.7, 124.0, 123.5, 122.1, 121.6, 121.3, 66.01. HRMS m/z: 547.26 [M]+. Anal, calcd for C40H25N3 (%): C 87.73, H 4.60, N 7.67; found: C 87.70, H 4.62, N 7.69.

Reference： [1]Current Patent Assignee: KYUSHU UNIVERSITY - WO2018/216820, 2018, A1 Location in patent: Page/Page column 49

9
9,9’-spirobi[9H-fluoren]-2'-ylboronic acid [ No CAS ]
[ 607740-08-9 ]
C₇₂H₄₄N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62%	With potassium phosphate; palladium diacetate; tris-(o-tolyl)phosphine; In 1,4-dioxane; water; toluene; for 16h;Reflux;	55.6 g (107 mmol) of 15 spiro-9,9?-bifluorene-2-boronic acid, 41.4 g (107 mmol) of 28 4-(3-bromophenyl)-2,6-diphenylpyrimidine and 44.6 g (210.0 mmol) of 29 tripotassium phosphate are suspended in 500 ml of 30 toluene, 500 ml of 31 dioxane and 500 ml of 20 water. Added to this suspension are 913 mg (3.0 mmol) of 32 tri-o-tolylphosphine and then 112 mg (0.5 mmol) of 33 palladium(II) acetate, and the reaction mixture is heated under reflux for 16 h. After cooling, the organic phase is removed, filtered through silica gel, washed three times with 200 ml of water and then concentrated to dryness. The residue is recrystallized from toluene and from 34 dichloromethane/35 iso-propanol and finally sublimed under high vacuum (p=5×10-5 mbar, T=377 C.). The yield is 37.7 g (42.1 mmol), corresponding to 87% of theory.

Reference： [1]Patent: US2019/106391,2019,A1 .Location in patent: Paragraph 0192

10
9,9'-spirobi[9H-fluoren]-2'-yl-boronic acid [ No CAS ]
[ 864377-28-6 ]
2,4-diphenyl-6-(3-{9,9'-spirobi[fluoren]-2-yl}phenyl)pyrimidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
87%	With potassium phosphate; palladium diacetate; tris-(o-tolyl)phosphine In 1,4-dioxane; water; toluene for 16h; Reflux;	1.b Step b) Synthesis of 27 4-[3-(9H,9′H-[9,9′]bifluorenyl-2-yl)phenyl]-2,6-diphenylpyrimidine 55.6 g (107 mmol) of 15 spiro-9,9′-bifluorene-2-boronic acid, 41.4 g (107 mmol) of 28 4-(3-bromophenyl)-2,6-diphenylpyrimidine and 44.6 g (210.0 mmol) of 29 tripotassium phosphate are suspended in 500 ml of 30 toluene, 500 ml of 31 dioxane and 500 ml of 20 water. Added to this suspension are 913 mg (3.0 mmol) of 32 tri-o-tolylphosphine and then 112 mg (0.5 mmol) of 33 palladium(II) acetate, and the reaction mixture is heated under reflux for 16 h. After cooling, the organic phase is removed, filtered through silica gel, washed three times with 200 ml of water and then concentrated to dryness. The residue is recrystallized from toluene and from 34 dichloromethane/35 iso-propanol and finally sublimed under high vacuum (p=5×10-5 mbar, T=377° C.). The yield is 37.7 g (42.1 mmol), corresponding to 87% of theory.

Reference： [1]Current Patent Assignee: MERCK KGAA - US2019/106391, 2019, A1 Location in patent: Paragraph 0192

11
[ 236389-21-2 ]
[ 1021019-03-3 ]
[ 2418164-63-1 ]

Yield	Reaction Conditions	Operation in experiment
90%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 85℃; Inert atmosphere;	12 Synthesis Example 12: Synthesis of compound (1-63) To a 100 mL reaction flask, add 9,9'-spirobifluoren-2-ylboronic acid (1.80 g, 5 mmol),2-bromo-[1,2,4]triazole[1,5-a]pyridine (0.99g, 5mmol), potassium carbonate (1.38g, 10mmol),30mL toluene, 15mL water and 15mL ethanol, under nitrogen atmosphere,tetrakis(triphenylphosphine)palladium (0.02g, 0.015mmol) was added, and the temperature was raised to 85 ° C for 10-24h.There is almost no material left in the liquid phase monitoring, stop heating, cool to room temperature, wash with water, filter,The filtrate was concentrated and together with the filter cake,Eluent with dichloromethane: petroleum ether 1:10 was subjected to column chromatography, then concentrated and dried to obtain 1.95 g of the target compound (1-63) in a yield of 90%.

Reference： [1]Current Patent Assignee: WUHAN SHANGSAI OPTOELECTRONICS TECHNOLOGY CO LTD - CN110590770, 2019, A Location in patent: Paragraph 0127-0130

12
[ 236389-21-2 ]
[ 2415915-01-2 ]
[ 2415915-02-3 ]

Yield	Reaction Conditions	Operation in experiment
88.3%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 80℃; Inert atmosphere;	2 4-Biphenyl-3-yl-6-(4-bromo-phenyl)-2-p-tolyl-pyrimidine (4.32 g, 12 mmole), Spiro-9,9′-bifluorene-2-boronic acid (4.78 g, 10 mmole) and potassium carbonate (6.73 g, 35 mmole) was placed in a reaction flask. Then, 34 ml of toluene, 10 ml of ethanol, 14 ml of deionized water were added therein, and the reaction flask was placed in an oil bath. After connecting to nitrogen and condenser, heating and stirring was initiated to 80° C. Tetrakis(triphenylphosphine)palladium (Pd(PPh3)4) (0.58 g, 0.5 mmole) was added to the reaction flask. When the reaction was complete and solids were precipitated, the oil bath was removed. The mixture was cooled before being filtered. The filtered cake was further added with 100 ml of deionized water. After stirring for 10 minutes, it was filtered again, and the filtered cake was added to 250 ml of tetrahydrofuran, and the mixture was heated and stirred until it was completely dissolved. Then, the mixture was added to a column packed with 20 g of silica gel, purified by chromatography, and concentrated to a white solid. After washing with ethyl acetate, filtered again and dried, a white solid (about 6.3 g) was obtained with a yield of 88.3%. 1H NMR (CDCl3, 400 MHz), δ8.60 (d, 2H), 8.45 (t, 1H), 8.25 (d, 2H), 8.22 (d, 1H), 7.98 (s, 1H), 7.95 (d, 1H), 7.88 (t, 3H), 7.69-7.76 (m, 4H), 7.60-7.64 (m, 3H), 7.50 (t, 2H), 7.38-7.43 (m, 4H), 7.33 (d, 2H), 7.13 (t, 3H), 7.03 (s, 1H), 6.81 (d, 2H), 6.75 (d, 1H), 2.45 (s, 3H).

Reference： [1]Current Patent Assignee: E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. - US2020/127211, 2020, A1 Location in patent: Paragraph 0066; 0068-0070

13
[ 236389-21-2 ]
[ 2415914-99-5 ]
[ 2468204-41-1 ]

Yield	Reaction Conditions	Operation in experiment
85.5%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 80℃; Inert atmosphere;	1 4-Biphenyl-3-yl-6-(3-bromo-phenyl)-2-p-tolyl-pyrimidine) (4.32 g, 12 mmole), Spiro-9,9′-bifluorene-2-borylic acid (4.78 g, 10 mmole) and potassium carbonate (6.73 g, 35 mmole) were added in a reaction flask. Then, 34 ml of toluene, 10 ml of ethanol, 14 ml of deionized water were added thereto. The reaction flask was placed in an oil bath. After connecting to nitrogen and a condenser, heating and stirring was initiated to 80° C. Tetrakis(triphenylphosphine)palladium (Pd(PPh3)4) (0.58 g, 0.5 mmole) was added in the reaction flask. When the reaction was complete and solids were precipitated, the oil bath was removed, and the mixture was cooled before being filtered. The filtered cake was further added with 100 ml of deionized water, stirred for 10 minutes, and filtered again. The filter cake was added to 250 ml of tetrahydrofuran, and the mixture was heated and stirred until it was completely dissolved. Then, the mixture was added to a column packed with 20 g of silica gel, and purified by chromatography, and concentrated to a white solid, which was then washed with ethyl acetate, filtered and dried. A white solid (about 6.1 g) was obtained as a product with a yield of 85.5%. 1H NMR (CDCl3, 400 MHz), δ8.56 (d, 2H), 8.44 (t, 1H), 8.36 (t, 1H), 8.22 (t, 1H), 8.14 (t, 1H), 7.98 (d, 2H), 7.90 (d, 1H), 7.86 (d, 2H), 7.73-7.77 (m, 2H), 7.69-7.72 (m, 2H), 7.63 (t, 1H), 7.56 (t, 1H), 7.47-7.53 (m, 3H), 7.32-7.45 (m, 6H), 7.11-7.15 (m, 3H), 7.04 (t, 1H), 6.81 (d, 2H), 6.76 (d, 1H), 2.47 (s, 3H)

Reference： [1]Current Patent Assignee: E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. - US2020/127211, 2020, A1 Location in patent: Paragraph 0061; 0063-0065

14
[ 236389-21-2 ]
[ CAS Unavailable ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
91%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; water; toluene at 90℃; for 10h; Inert atmosphere;	22 Synthesis Example 22: Synthesis of Chemical 11 Weigh 1.85g (5.0mmol, 1.0eq) of intermediate 3d,1.84g (5.1mmol, 1.05eq) of 9,9'-spirobifluorene-2-boronic acid, 0.40g (0.40mmol, 0.04eq) of tetrakistriphenylphosphine palladium,1.4g (10.0mmol, 2.0eq) potassium carbonate, add 20ml toluene, 6ml ethanol and 3ml deionized water, under nitrogen protection, react at 90°C for 10h. The reaction was stopped, cooled to room temperature, poured into 100 ml of water, and extracted with dichloromethane three times.The organic phase was collected, dried with anhydrous sodium sulfate, and the solvent was removed by rotary evaporation. Dichloromethane/methanol was recrystallized, filtered, and dried to obtain 2.73 g of yellow solid with a yield of 91%.

Reference： [1]Current Patent Assignee: ZHEJIANG HONGWU TECHNOLOGY CO LTD - CN113105491, 2021, A Location in patent: Paragraph 0081-0083

15
[ 236389-21-2 ]
[ 109-04-6 ]
[ 1092539-80-4 ]

Yield	Reaction Conditions	Operation in experiment
78%	With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In ethanol; water monomer; toluene at 110℃; Inert atmosphere;	Preparation of 2-arylpyridines General procedure: 2-Bromopyridine (2.0 mmol, 1.0 equiv) was added to a solution of arylboronic acid (1.3 equiv), Na2CO3(7.4 equiv), and Pd(PPh3)4(3.0 mol %) in toluene (7.0 mL), ethanol (1.5 mL), and H2O (7.0 mL) in 50 mL two-necked flask underargonatmosphere. After being refluxed at 110oC for overnight, the reaction mixture was cooled to room temperature. The reaction mixture was quenched by aqueous NH4Cl, extracted by EtOAc (3 x 20 mL, 60 mL), dried over Na2SO4, and evaporated invacuoto afford the crude product, which was further purified by flash chromatography on silica gel with EtOAc and hexane to give the corresponding 2-arylpyridineS1-S8in good yield.[2]

Reference： [1]Liang, Junqing; Dong, Lefeng; Qian, Feng; Kong, Yijin; Wang, Mingxia; Xu, Xiaoyong; Shao, Xusheng; Li, Zhong [Chinese Chemical Letters, 2022, vol. 33, # 11, p. 4817 - 4821]

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