955929-54-1|Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate| Ambeed

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Quality Control of [ 955929-54-1 ] Purity: 95% SDS Specification

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Product Details of [ 955929-54-1 ]

CAS No. :	955929-54-1
Formula :	C₁₅H₂₁BO₄
M.W :	276.14
SMILES Code :	O=C(OC)C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1C
MDL No. :	MFCD13190786
InChI Key :	ZEWWIRVGQHLZJP-UHFFFAOYSA-N
Pubchem ID :	57422592

Safety of [ 955929-54-1 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Computational Chemistry of [ 955929-54-1 ] Show Less

Physicochemical Properties

Num. heavy atoms	20
Num. arom. heavy atoms	6
Fraction Csp3	0.53
Num. rotatable bonds	3
Num. H-bond acceptors	4.0
Num. H-bond donors	0.0
Molar Refractivity	79.16
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	44.76 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	0.0
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	3.13
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	2.08
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	1.79
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	2.29
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.86

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-3.55
Solubility	0.0782 mg/ml ; 0.000283 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-3.74
Solubility	0.0503 mg/ml ; 0.000182 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-4.46
Solubility	0.0096 mg/ml ; 0.0000348 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	Yes
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-5.76 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	1.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<0.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	3.2

Application In Synthesis of [ 955929-54-1 ]

* 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 [ 955929-54-1 ]

[ 955929-54-1 ] Synthesis Path-Downstream 1~35

1
[ 955929-54-1 ]
[ 7463-51-6 ]
[ 955929-60-9 ]

Yield	Reaction Conditions	Operation in experiment
	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate;palladium diacetate; In water; toluene; at 60℃; for 14.5h;	Production Example 9 In an atmosphere of nitrogen, a mixture of methyl 2-methyl-3-(4,4,5,5-tetrarnethyl-1,3,2-dioxaborolan-2-yl)benzoate, 4-bromo-3,5-dimethylphenol, palladium acetate, dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphine, tripotassium phosphate, toluene and water was stirred for 14.5 hours with heating at 60C to obtain ethyl 4'-hydroxy-2,2',6'-trimethylbiphenyl-3-carboxylate.

References: [1]Patent: EP2011788,2009,A1 .Location in patent: Page/Page column 20.

2
[ 99548-54-6 ]
[ 73183-34-3 ]
[ 955929-54-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate; triphenylphosphine;bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; at 100℃; for 72.0h;	Production Example 5 In an atmosphere of nitrogen, a mixture of methyl 3-bromo-2-methylbenzoate, bis(pinacolate)diboron, bis(triphenylphosphine)palladium(II) dichloride, triphenyl phosphine, tripotassium phosphate and dioxane was stirred at 100C for 3 days, thereby obtaining methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.
	With potassium acetate;bis(triphenylphosphine)benzylideneruthenium(II) dichloride; triphenylphosphine; In 1,4-dioxane; at 20 - 100℃;Inert atmosphere;	Preparation Example 13 Under a nitrogen atmosphere, a mixture of methyl 3-bromo-2-methylbenzoate (53.00 g), 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane (88.10 g), bistriphenylphosphine palladium chloride (8.12 g), triphenylphosphine (6.07 g), potassium acetate (68.10 g), and dioxane (530 mL) was heated and stirred at 100 C. for 29 hours, and then cooled to room temperature. The reaction mixture was filtered through Celite and washed with ethyl acetate. The resulting filtrate was concentrated under reduced pressure and the residue was purified by silica gel column chromatography (hexane-ethyl acetate) to obtain methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (54.00 g) as a colorless oil.
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate; In 1,4-dioxane; at 100℃; for 16.0h;Inert atmosphere;	PdCl2(dppf). CH2Cl2 (80 g, 21 mmol) was added to a de-gassed solution of methyl 3-bromo-2-methylbenzoate (100 g, 438 mmol) and bis(pinacolato)diboran (89 g, 400 mmol) and KOAc (107.4 g, 1.095 mol) in 1,4-dioxane (600 mL) and stirred at 100 C. for 16 h. The solvent was removed by rotary evaporation. The residue was diluted with ice-cold water (100 mL) and the aqueous layer was extracted with ethyl acetate (2×1 L), washed with water (500 mL) and brine (500 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 2 (120 g) as a black gummy solid. The crude product was used in the next step without purification. ES+, m/z 277.1 [M+H]; [C15H21BO4]; 1H NMR (400 MHz, CDCl3): delta 7.86-7.82 (m, 2H), 7.27-7.19 (m, 1H), 3.89 (s, 3H), 2.73 (s, 3H), 1.35 (s, 12H).

	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 110℃;Inert atmosphere;	A mixture of methyl 3-bromo-2-methylbenzoate II-2 (3g, 13.1 mmol), 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane (4 g, 15.7 mmol), Pd(dppf)Cl2 (670 mg, 0.9 mmol), KOAc (2.6 g, 26.2 mmol) in 150 mL of dioxane was stirred at 110C under N2 overnight. The reaction mixture was filtered and concentrated, then extracted with ethyl acetate. The organic layer was dried over Na2S04, filtered and concentrated. The crude was purified by column chromatography (petroleum ether : ethyl acetate = 80 : 1) to give a product as a green oil (2.9 g, 81%). 1H NMR (400 MHz, CDC13) _ 7.86-7.82 (m, 2H), 7.22- 7.21 (m, 1H), 3.88 (s, 3H), 2.74 (s, 3H), 1.36 (s, 12H).
	With potassium acetate;bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; In 1,4-dioxane; at 100℃; for 29.0h;Inert atmosphere;	Production Example 6 Under a nitrogen atmosphere, a mixture of methyl 3-bromo-2-methylbenzoate (53.00 g), 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bis-1,3,2-dioxaborolane (88.10 g), bistriphenylphosphine palladium(II) dichloride (8.12 g), triphenylphosphine (6.07 g), potassium acetate (68.10 g) and dioxane (530 ml) was stirred at 100C for 29 hours, and then cooled to room temperature. The obtained reaction mixture was filtrated over Celite and washed with ethyl acetate. The obtained filtrate was concentrated under reduced pressure, and the obtained residue was purified by silica gel column chromatography (hexane-ethyl acetate) to obtain 54.00 g of methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoate.

References: [1]Patent: EP2011788,2009,A1 .Location in patent: Page/Page column 19.
[2]Patent: US2012/35196,2012,A1 .Location in patent: Page/Page column 21.
[3]Patent: US2018/65917,2018,A1 .Location in patent: Paragraph 0199.
[4]Patent: WO2018/26971,2018,A1 .Location in patent: Page/Page column 23.
[5]Patent: EP2216330,2010,A1 .Location in patent: Page/Page column 25.

3
[ 955929-98-3 ]
[ 955929-54-1 ]
[ 955929-99-4 ]

Yield	Reaction Conditions	Operation in experiment
	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate;palladium diacetate; In water; toluene; at 80℃; for 12.0h;	Production Example 34 In an atmosphere of nitrogen, a mixture of 1-bromo-4-(3-fluoro-3-methylbutoxy)-2-methylhenzene, <strong>[955929-54-1]methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate</strong>, palladium acetate, dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphine, tripotassium phosphate, toluene and water was stirred at 80C for 12 hours to obtain methyl 4'-(3-fluoro-3-methylbutoxy)-2,2'-dimethylbiphenyl-3-carboxylate. Lithium aluminum hydride was added to a THF solution of the resulting methyl 4'-(3-fluoro-3-methylbutoxy)-2,2'-dimethylbiphenyl-3-carboxylate under ice-cooling, followed by warming up to room temperature and stirring for 1 hour to obtain [4'-(3-fluoro-3-methylbutoxy)-2,2'-dimethylbiphenyl-3-yl]methanol.

References: [1]Patent: EP2011788,2009,A1 .Location in patent: Page/Page column 23.

4
[ 76006-33-2 ]
[ 955929-54-1 ]

References: [1]Patent: US2012/35196,2012,A1 .
[2]Patent: WO2018/26971,2018,A1 .

5
[ 955929-54-1 ]
[ 1147857-73-5 ]
[ 1147857-81-5 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate;dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In water; ethyl acetate; toluene; at 80℃; for 24.0h;Inert atmosphere;	Preparation Example 6A mixture of 5-bromo-2-(2-[tert-butyl(dimethyl)silyl]oxy}ethoxy)-4,6-dimethylpyrimidine (7.21 g), <strong>[955929-54-1]methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate</strong> (6.10 g), palladium(II) acetate (242 mg), dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphine (848 mg), tripotassium phosphate (12.7 g), toluene (100 mL), and water (10 mL) was stirred at 80 C. for 24 hours under a nitrogen atmosphere. The reaction mixture was cooled to room temperature, then water and ethyl acetate were added thereto, and the insoluble materials were removed by filtration through Celite. The filtrate was subjected to liquid-separation, and then the aqueous layer was extracted with ethyl acetate. The organic layer was washed with a saturated aqueous sodium chloride solution and then dried over anhydrous magnesium sulfate. The desiccant was removed by filtration, and then the solvent was evaporated under reduced pressure. The resulting residue was purified by silica gel column chromatography (hexane-ethyl acetate) to obtain methyl 3-[2-(2-[tert-butyl(dimethyl)silyl]oxy}ethoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylbenzoate (7.30 g) as a pale yellow oil.

References: [1]Patent: US2012/35196,2012,A1 .Location in patent: Page/Page column 20.

6
[ 955929-54-1 ]
[ 1431773-82-8 ]
[ 1431773-83-9 ]

Yield	Reaction Conditions	Operation in experiment
43%	With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; XPhos; In 1,4-dioxane; water; at 100℃; for 16.0h;Inert atmosphere;	A mixture of (S)-6-chloro-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine (124 mg, 0.38 mmol), <strong>[955929-54-1]methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate</strong> (124 mg, 0.45 mmol), Pd2(dba)3 (22 mg, 0.038 mmol), X-phos (73 mg, 0.152 mmol) and Na2CO3 (121 mg, 1.14 mmol) in dioxane (10 mL) and water (1 mL) was heated to 100 C. with stirring for 16 h under N2. The solvent was removed in vacuo and the resulting mixture was purified by chromatography (silica gel, 200-300 mesh, CH2Cl2:MeOH=20:1) to give (S)-methyl 2-methyl-3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate (72 mg, 43%) as a yellow solid. LC-MS: [M+H]+, 443.2, tR=1.880 min.
43%	With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; XPhos; In 1,4-dioxane; water; at 100℃; for 16.0h;	A mixture of (5)-6-chloro-N-(6-(2-methylpyrrolidin-l-yl)pyridin-2-yl)imidazo[l,2-b]pyridazin- 8-amine (124 mg, 0.38 mmol), methyl 2-methyl-3-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2- yl)benzoate (124 mg, 0.45 mmol), Pd2(dba)3 (22 mg, 0.038 mmol), X-phos (73 mg, 0.152 mmol) and Na2CC"3 (121 mg, 1.14 mmol) in dioxane (10 mL) and water (1 mL) was heated to 100 C with stirring for 16 h under N2. The solvent was removed in vacuo and the resulting mixture was purified by chromatography (silica gel, 200 - 300 mesh, CH2C12 : MeOH = 20 : 1) to give (S)- methyl 2-methyl-3-(8-(6-(2-methylpyrrolidin-l-yl)pyridin-2-ylamino)imidazo[l,2-b]pyridazin - 6-yl)benzoate (72 mg, 43 %) as a yellow solid. LC-MS: [M+H]+, 443.2, tR = 1.880min.

References: [1]Patent: US2013/109661,2013,A1 .Location in patent: Paragraph 0352-0353.
[2]Patent: WO2013/64445,2013,A1 .Location in patent: Page/Page column 85.

7
[ 955929-54-1 ]
methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
87%	With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In acetonitrile; at 90℃; for 3.0h;	Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoate (prepared in accordance with the reference [EP 2011788 A1]; 2.0 g, 7.1 mmol) was dissolved in CH3CN (40 mL), which was then added with AIBN (23 mg, 0.14 mmol) and N-bromosuccinimide (1.5 g, 8.5 mmol), followed by stirring for 3 hours at 90C. The reaction mixture thus obtained was concentrated, and purified by silica gel chromatography to obtain the title compound (colorless oil, 2.2 g, 87% yield). (0513) 1H NMR (300 MHz, CDCl3) delta 7.97-7.93 (m, 2H), 7.34 (t, 1H), 5.43 (s, 2H), 3.95 (s, 3H), 1.39 (s, 12H).

References: [1]Patent: EP2963027,2016,A1 .Location in patent: Paragraph 0511; 0512; 0513.

8
[ 45644-21-1 ]
[ 955929-54-1 ]
methyl 3-(6-aminopyridin-2-yl)-2-methylbenzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,2-dimethoxyethane; water; at 80℃;	Example 122A methyl 3-(6-aminopyridin-2-yl)-2-methylbenzoate 6-chloropyridin-2-amine (0.257 g, 2 mmol), <strong>[955929-54-1]methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate</strong> (0.607 g, 2.200 mmol), potassium carbonate (0.663 g, 4.80 mmol), and PdCl2dppf (0.073 g, 0.100 mmol) in dimethoxyethane (6 mL) and water (3 ml) were heated at 80 C. overnight. The mixture was diluted with ethyl acetate (20 mL) and washed with water (3*5 mL) and brine (5 mL) sequentially. The organic layer was dried over Na2SO4, filtered, and concentrated in vacuo. The residue was chromatographed on silica gel, eluting with 10 to 60% ethyl acetate-heptanes. The title compound was obtained as a white solid (0.378 g, 78%). 1H NMR (400 MHz, DMSO-d6) delta 7.70 (dd, J=7.7, 1.5 Hz, 1H), 7.51-7.26 (m, 3H), 6.57-6.38 (m, 2H), 5.97 (s, 2H), 3.84 (s, 3H), 2.36 (s, 3H). MS (DCI+) m/z 243.0 (M+H).

References: [1]Patent: US2017/15675,2017,A1 .Location in patent: Paragraph 1215.

9
[ 955929-54-1 ]
3-(6-[(7R)-2,2-difluoro-7-methyl-6,7-dihydro-2H-furo[2,3-f][1,3]benzodioxole-7-carbonyl]amino}pyridin-2-yl)-2-methylbenzoic acid [ No CAS ]

References: [1]Patent: US2017/15675,2017,A1 .

10
[ 955929-54-1 ]
methyl 3-(6-[(7R)-2,2-difluoro-7-methyl-6,7-dihydro-2H-furo[2,3-f][1,3]benzodioxole-7-carbonyl]amino}pyridin-2-yl)-2-methylbenzoate [ No CAS ]

References: [1]Patent: US2017/15675,2017,A1 .

11
[ 955929-54-1 ]
3,3'-bis(bromomethyl)-2,2'-dimethyl-1,1'-biphenyl [ No CAS ]

References: [1]Patent: US2018/65917,2018,A1 .
[2]Patent: WO2018/26971,2018,A1 .

12
[ 955929-54-1 ]
4,4'-(((2,2'-dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(methylene))bis(oxy))bis(3-methylbenzaldehyde) [ No CAS ]

References: [1]Patent: US2018/65917,2018,A1 .
[2]Patent: WO2018/26971,2018,A1 .

13
[ 955929-54-1 ]
(2S,2'S)-1,1'-(((((2,2'-dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(methylene))bis(oxy))bis(3-methyl-4,1-phenylene))bis(methylene))bis(piperidine-2-carboxylic acid) [ No CAS ]