[ CAS No. 1072945-86-8 ]

Name: 1072945-86-8|(6-(Methoxycarbonyl)pyridin-3-yl)boronic acid|98%
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Quality Control of [ 1072945-86-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1072945-86-8 ]

Product Details of [ 1072945-86-8 ]

CAS No. :	1072945-86-8	MDL No. :	MFCD09800559
Formula :	C₇H₈BNO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OJRWQJNSMWIFMD-UHFFFAOYSA-N
M.W :	180.95	Pubchem ID :	45588187
Synonyms :

Calculated chemistry of [ 1072945-86-8 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.34
TPSA :	79.65 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.06
Log Po/w (WLOGP) :	-1.45
Log Po/w (MLOGP) :	-1.35
Log Po/w (SILICOS-IT) :	-1.34
Consensus Log Po/w :	-0.84

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.07
Solubility :	15.5 mg/ml ; 0.0856 mol/l
Class :	Very soluble
Log S (Ali) :	-1.16
Solubility :	12.5 mg/ml ; 0.0689 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.99
Solubility :	18.4 mg/ml ; 0.102 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.14

Safety of [ 1072945-86-8 ]

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 [ 1072945-86-8 ]

* 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 [ 1072945-86-8 ]

[ 1072945-86-8 ] Synthesis Path-Downstream 1~27

1
[ 1072945-86-8 ]
[ 1374260-87-3 ]
[ 1374263-44-1 ]

Yield	Reaction Conditions	Operation in experiment
95%	With bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); sodium carbonate; In water; N,N-dimethyl-formamide; at 160℃; for 1h;Microwave irradiation;	Step 1: Preparation of methyl 5-[3-(4-{1-[(tert-butoxycarbonyl)amino]cyclobutyl}phenyl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl]pyridine-2-carboxylate A mixture of tert-butyl {1-[4-(2-bromo-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate (50 mg, 0.090 mmol), <strong>[1072945-86-8][6-(methoxycarbonyl)pyridin-3-yl]boronic acid</strong> (32 mg, 0.18 mmol), bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) (6 mg, 0.09 mmol), and 2M Na2CO3 aq. (0.090 mL, 0.18 mmol) in DMF (2.5 mL) was treated with microwave (160 C. for 1 hour). The reaction mixture was added potassium carbonate (30 mg, 0.22 mmol) and iodomethane (0.050 mL, 0.80 mmol) and stirred at r.t for 17 hours. The mixture was diluted with AcOEt, washed with water (*3), brine, dried over Na2SO4, then filtrated through Celite pad. The filtrate was concentrated and the residue was purified by preparative thin-layer chromatography (n-hexane/AcOEt=1:3) to afford the desired product (52 mg, 95%) as a pale yellow solid. 1HNMR (CDCl3) 400 MHz delta: 8.83 (d, J=2.3 Hz, 1H), 8.15 (dd, J=7.4 Hz and 1.7 Hz, 1H), 8.09 (d, J=8.0 Hz, 1H), 8.02 (d, J=4.0 Hz, 1H), 7.41 (d, J=8.0 Hz, 2H), 7.34 (td, J=7.4 Hz and 1.7 Hz, 1H), 7.19-7.17 (m, 3H), 6.96 (d, J=8.0 Hz, 1H), 6.80 (d, J=7.4 Hz, 1H), 6.60 (dd, J=8.0 Hz and 4.6 Hz, 1H), 6.26 (s, 1H), 5.14 (br s, 1H), 3.99 (s, 3H), 2.59-2.53 (m, 2H), 2.51-2.42 (m, 2H), 2.20-2.12 (m, 1H), 1.96-1.88 (m, 1H), 1.40 (br s, 9H). LCMS: 615 [M+H].

Reference： [1]Patent: US2012/108574,2012,A1 .Location in patent: Page/Page column 123-124

2
[ 1314319-10-2 ]
[ 1072945-86-8 ]
[ 1414782-45-8 ]

Yield	Reaction Conditions	Operation in experiment
26%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In 1,4-dioxane; water; at 95℃; for 18h;Inert atmosphere;	To a solution of tert-butyl 2-[(R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate 3 (800 mg, 1.9 mmol), <strong>[1072945-86-8](6-(methoxycarbonyl)pyridin-3-yl)boronic acid</strong> 5v (600 mg, 2.28 mmol), Pd(PPh3)4 (112 mg, 0.085 mmol) and K2CO3 (595 mg, 4.18 mmol) in 1,4-dioxane (27 mL) and water (3 mL) (de-gassed with N2 for 20 min) was heated under reflux for 18 h. After cooling to room temperature, the reaction mixture was diluted with ethyl acetate (150 mL), washed with water (50 mL), and the organic layer was dried (MgSO4), filtered and concentrated under reduced pressure to give the crude compound. This material was purified by silica gel chromatography with a gradient of 0-30% methanol in dichloromethane to give 6v (232 mg, 26%) as an orange glass. 1H NMR (400 MHz, CdCl3): delta 8.92 (dd, J = 2.2, 0.7 Hz, 1 H), 8.18 (dd, J = 8.2, 0.8 Hz, 1 H), 7.98 (dd, J = 8.1, 2.2 Hz, 1 H), 7.65 (dd, J = 12.0, 1.5 Hz, 1 H), 7.57-7.51 (m, 1 H), 7.49-7.41 (m, 1 H), 4.02 (s, 3 H), 3.96 (d, J = 2.5 Hz, 1 H), 3.38-3.29 (m, 4 H), 3.21-3.04 (m, 4 H), 2.93-2.81 (m, 1 H), 2.24-2.06 (m, 2 H), 2.00-1.90 (m, 1 H), 1.75-1.65 (m, 4 H), 1.44 (s, 9 H); MS (ESI): m/z 478.1 (M+H)+.

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 6351 - 6354,4

3
[ 1072945-86-8 ]
[ 1403384-74-6 ]
[ 1403779-16-7 ]

Yield	Reaction Conditions	Operation in experiment
79%	With triethylamine; In methanol; 1,2-dimethoxyethane; at 120℃; for 0.75h;	6-(((2S,4R)-1-Acetyl-6-bromo-2-methyl-1 .2.3,4-tetrahydroquinolin-4- yl)amino)nicotinonitrile (for a preparation see Intermediate 2)(3.25 g, 8.44 mmol), {6- [(methyloxy)carbonyl]-3-pyridinyl}boronic acid (1.832 g, 10.12 mmol), {6- [(methyloxy)carbonyl]-3-pyridinyl}boronic acid (1.832 g, 10.12 mmol) and triethylamine (2.352 ml, 16.87 mmol) were combined in MeOH (30 ml) and DME (5 ml). The reaction mixture was divided between 2 vials and each heated at 120 C for 45min. The crude reaction mixtures were combined and concentrated in vacuo to give 4.4g of crude brown solid. This was purified by chromatography on silica (100g), eluting with over 1500 ml of EtOAc (compound leached off slowly) to give methyl 5-((2S,4R)-1 -acetyl-4-((5- cyanopyridin-2-yl)amino)-2-methyl-1 ,2,3,4-tetrahydroquinolin-6-yl)picolinate (2.94 g, 6.66 mmol, 79 % yield) as a brown foamy solid. LCMS (Formate, 2min), Rt=0.81 min, MH+ = 442.

Reference： [1]Patent: WO2012/143415,2012,A1 .Location in patent: Page/Page column 48

4
[ 1072945-86-8 ]
[ 1403779-28-1 ]
[ 1403779-29-2 ]

Yield	Reaction Conditions	Operation in experiment
87%	With triethylamine;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In methanol; 1,2-dimethoxyethane; at 120℃; for 0.75h;Microwave irradiation;	5-(((2S,4/?)-1-acetyl-6-bromo-2-methyl-1 ,2,3,4-tetrahydroquinolin-4-yl)amino)pyrazine-2- carbonitrile (for a preparation, see Intermediate 51 ) (390 mg, 1 .010 mmol), (6- (methoxycarbonyl)pyridin-3-yl)boronic acid (219 mg, 1.21 mmol), PdCI2(dppf) (1 1 1 mg, 0.151 mmol) and triethylamine (0.281 ml, 2.02 mmol) were combined in a mixture of dry MeOH (6 mL) and DME (1 mL). The mixture was heated under microwave irradiation to 120C for 45 mins. The mixture was then concentrated in vacuo and the residue purified by chromatography (100 g column, EtOAc/cyclohexane gradient) to give methyl 5- ((2S,4/?)-1-acetyl-4-((5-cyanopyrazin-2-yl)amino)-2-methyl-1 ,2,3,4-tetrahydroquinolin-6- yl)picolinate (389 mg, 0.879 mmol, 87 % yield) as a pink solid.LCMS: (Formate, 2 min), Rt = 0.84 mins, MH+ = 443.

Reference： [1]Patent: WO2012/143415,2012,A1 .Location in patent: Page/Page column 58

5
[ 1072945-86-8 ]
[ 1174429-23-2 ]
[ 1174429-24-3 ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 1922 - 1939

6
[ 1072945-86-8 ]
[ 1000342-95-9 ]
[ 76-05-1 ]
methyl 5-(6-(trifluoromethyl)-1H-indazol-4-yl)picolinatetrifluoroacetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 269: methyl 5-(6-(trifluoromethyl)-lH-indazol-4-yl)picolinate [0830] A vial was charged with a mixture of 4-bromo-6-(trifluoromethyl)-lH-indazole (0.732 g, 2.76 mmol), (6-(methoxycarbonyl)pyridin-3-yl)boronic acid (0.5 g, 2.76 mmol) and PdCl2(dppf) (0.101 g, 0.138 mmol) in dioxane (10 mL) and aqueous saturated NaHC03 (3 mL). The resulting light brown suspension was heated at 140°C for 45 minutes in a microwave reactor. The reaction mixture was subsequently concentrated. The residue was diluted with DCM, washed with water, and the volatiles removed via rotary evaporation. The crude product was purified by CombiFlash® chromatography (0-30percent MeOH in DCM over 180 minutes). The product-containing fractions were combined and concentrated by rotary evaporation to give product with some impurities (0.28 g). A portion of the product (20 mg) was re-purified by preparative HPLC, eluting with 40percent ACN (containing 0.035percent TFA) in H20 (containing 0.05percent TFA) over a period of 6.5 minutes to give a TFA salt of the title compound. 1H NMR (400 MHz, OMSO-d6) delta ppm 3.95 (s, 3 H), 7.69 (s, 1 H), 8.07 (s, 1 H), 8.23 (dd, J=8.21, 0.63 Hz, 1 H), 8.39-8.57 (m, 2 H), 9.10-9.26 (m, 1 H), 13.86 (br s, 1 H); ESI-MS m/z [M+H]+ calc'd for Ci5Hi0F3N3O2, 322.1; found 322.11.

Reference： [1]Patent: WO2013/130855,2013,A1 .Location in patent: Paragraph 0829; 0830

7
[ 1072945-86-8 ]
4-((4-bromo-2-fluorophenoxy)methyl)-1-(2-fluoro-2-methylpropyl)piperidine [ No CAS ]
methyl 5-(3-fluoro-4-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)phenyl) picolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
9%	With dichloro[1,1?-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P?]palladium; caesium carbonate; In 1,4-dioxane; water; at 110℃; for 0.5h;Microwave irradiation;	4-((4-bromo-2-fluorophenoxy)methyl)-1-(2-fluoro-2-methylpropyl)piperidine (the product of synthesis step 4 of compound 725; 1.0 g, 2.76 mmol) was dissolved in 1,4- dioxane 8 mL and H2O 2 mL. 6-(Methoxycarbonyl)pyridine-3-ylboronic acid (0.50 g, 2.76 mmol), Pd(dbpf)Cl2 (0.22 g, 0.28 mmol) and Cs2CO3 (1.80 g, 5.52 mmol) were added thereto. The mixture was stirred in a microwave at 110 C for 30 minutes. After the completion of the reaction, the reaction mixture was filtered through Celite. The filtrate was added with saturated NaHCO3 aqueous solution, and extracted with CH2Cl2. The organic layer was washed three times with saturated aqueous brine solution, dried over Na2SO4, and filtered. The filtrate was concentrated under reduced pressure. MeOH was added thereto. The resulting precipitate was filtered to yield the title compound as dark brown solid (0.1 g, 9%).
9%	With dichloro[1,1?-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P?]palladium; caesium carbonate; In 1,4-dioxane; water; at 110℃; for 0.5h;Microwave irradiation;	4-((4-bromo-2-fluorophenoxy)methyl)-1-(2-fluoro-2-methylpropyl)piperidine (the product of synthesis step 4 of compound 725; 1.0 g, 2.76 mmol) was dissolved in 1,4-dioxane 8 mL and H2O 2 mL. 6-(Methoxycarbonyl)pyridine-3-ylboronic acid (0.50 g, 2.76 mmol), Pd(dbpf)Cl2 (0.22 g, 0.28 mmol) and Cs2CO3 (1.80 g, 5.52 mmol) were added thereto. The mixture was stirred in a microwave at 110 C. for 30 minutes. After the completion of the reaction, the reaction mixture was filtered through Celite. The filtrate was added with saturated NaHCO3 aqueous solution, and extracted with CH2Cl2. The organic layer was washed three times with saturated aqueous brine solution, dried over Na2SO4, and filtered. The filtrate was concentrated under reduced pressure. MeOH was added thereto. The resulting precipitate was filtered to yield the title compound as dark brown solid (0.1 g, 9%)

Reference： [1]Patent: WO2013/187646,2013,A1 .Location in patent: Page/Page column 125; 126
[2]Patent: US2015/166480,2015,A1 .Location in patent: Paragraph 0820

8
[ 1072945-86-8 ]
5-bromo-2-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)benzonitrile [ No CAS ]
methyl 5-(3-cyano-4-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)phenyl) picolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
19%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,4-dioxane; water; at 110℃; for 0.25h;Microwave irradiation;	5-bromo-2-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)benzonitrile (the product of synthesis step 4 of compound 938; 673 mg, 1.82 mmol), 6-(methoxycarbonyl) pyridine-3-ylboronic acid (330 mg, 1.82 mmol), Pd(dppf)Cl2 (59 mg, 0.09 mmol) and Cs2CO3 (1.19 g, 3.65 mmol) were added to water (2 mL)/1,4-dioxane (6 mL). With a microwave radiation, the mixture was heated at 110 C for 15 minutes, and then cooled to room temperature. The reaction mixture was added with water, and extracted with EtOAc. The obtained organic layer was washed with saturated aqueous brine solution, dried over anhydrous MgSO4, and concentrated under reduced pressure. The obtained concentrate was purified by silica gel column chromatography (EtOAc/hexane = 30 % ~ 70 %) to yield the title compound as brown solid (150 mg, 19%).
19%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,4-dioxane; water; at 110℃; for 0.25h;Microwave irradiation;	5-bromo-2-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)benzonitrile (the product of synthesis step 4 of compound 938; 673 mg, 1.82 mmol), <strong>[1072945-86-8]6-(methoxycarbonyl)pyridine-3-ylboronic acid</strong> (330 mg, 1.82 mmol), Pd(dppf)Cl2 (59 mg, 0.09 mmol) and Cs2CO3 (1.19 g, 3.65 mmol) were added to water (2 mL) 1,4-dioxane (6 mL). With a microwave radiation, the mixture was heated at 110 C. for 15 minutes, and then cooled to room temperature. The reaction mixture was added with water, and extracted with EtOAc. The obtained organic layer was washed with saturated aqueous brine solution, dried over anhydrous MgSO4, and concentrated under reduced pressure. The obtained concentrate was purified by silica gel column chromatography (EtOAchexane=30%70%) to yield the title compound as brown solid (150 mg, 19%)

Reference： [1]Patent: WO2013/187646,2013,A1 .Location in patent: Page/Page column 147
[2]Patent: US2015/166480,2015,A1 .Location in patent: Paragraph 0891

9
[ 1072945-86-8 ]
4-((4-bromo-3-fluorophenoxy)methyl)-1-(2-fluoro-2-methylpropyl)piperidine [ No CAS ]
methyl 5-(2-fluoro-4-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)phenyl)picolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
17%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,4-dioxane; water; at 110℃; for 0.25h;Microwave irradiation;	4-((4-bromo-3-fluorophenoxy)methyl)- 1 -(2-fluoro-2- methylpropyl)piperidine (the product of synthesis step 4 of compound 704; 1.00 g, 2.76 mmol), <strong>[1072945-86-8]6-(methoxycarbonyl)pyridine-3-ylboronic acid</strong> (600 mg, 3.31 mmol), Pd(dppf)Cl2 (113 mg, 0.14 mmol) and Cs2CO3 (1.80 g, 5.52. mmol) were added to water (2 mL)/1,4-dioxane (6 mL). With a microwave radiation, the mixture was heated at 110 C for 15 minutes, and then cooled to room temperature. The reaction mixture was added with water, and extracted with EtOAc. The organic layer was dried over anhydrous MgSO4, and concentrated under reduced pressure. The obtained concentrate was purified by silica gel column chromatography (EtOAc/hexane = 1/7) to yield the title compound as white solid (200 g, 17%).
17%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,4-dioxane; water; at 110℃; for 0.25h;Microwave irradiation;	4-((4-bromo-3-fluorophenoxy)methyl)-1-(2-fluoro-2-methylpropyl)piperidine (the product of synthesis step 4 of compound 704; 1.00 g, 2.76 mmol), <strong>[1072945-86-8]6-(methoxycarbonyl)pyridine-3-ylboronic acid</strong> (600 mg, 3.31 mmol), Pd(dppf)Cl2 (113 mg, 0.14 mmol) and Cs2CO3 (1.80 g, 5.52 mmol) were added to water (2 mL)1,4-dioxane (6 mL). With a microwave radiation, the mixture was heated at 110 C. for 15 minutes, and then cooled to room temperature. The reaction mixture was added with water, and extracted with EtOAc. The organic layer was dried over anhydrous MgSO4, and concentrated under reduced pressure. The obtained concentrate was purified by silica gel column chromatography (EtOAchexane=17) to yield the title compound as white solid (200 g, 17%)

Reference： [1]Patent: WO2013/187646,2013,A1 .Location in patent: Page/Page column 139
[2]Patent: US2015/166480,2015,A1 .Location in patent: Paragraph 0864

10
[ 1072945-86-8 ]
[ 1400706-62-8 ]
[ 1578190-28-9 ]

Yield	Reaction Conditions	Operation in experiment
	With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; methanol; water; at 100℃; for 12h;Inert atmosphere;	4-[Cyclopropyl-(4-iodo-benzoyl)-amino]-piperidine-1 -carboxylic acid tert-butyl ester (47 mg) in dioxane/methanol (2:1 , 2 mL), 2 M aqueous Na2CO3 solution (0.1 mL), and bis(triphenylphosphine)-palladium(ll) chloride (1 .1 mg) are added to 2- (methylcarboxy)pyridine-5-boronic acid (54 mg) dissolved in 2:1 dioxane/methanol (1 mL) under argon atmosphere. The mixture is stirred for 12 h at 100 C. The mixture is diluted with water and purified by HPLC (RP-C18 XBridge, methanol/water (+0.1 % ammonia)) to yield the title compound. LC (method 18): tR = 1 .95 min; Mass spectrum (ESI"): m/z = 464 [M-H].

Reference： [1]Patent: WO2014/37327,2014,A1 .Location in patent: Page/Page column 116; 117

11
[ 110-91-8 ]
[ 1072945-86-8 ]
6-(morpholine-4-carbonyl)pyridin-3-ylboronic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile; at 85℃;	Preparation 9 6-(Morpholine-4-carbonyl)pyridin-3-ylboronic acid To a solution of <strong>[1072945-86-8]6-(methoxycarbonyl)pyridin-3-ylboronic acid</strong> (200 mg, 1.105 mmol) in MeCN was added morpholine (1 mL, 11.48 mmol). The mixture was stirred at 85 C for o/n, LC-MS indicated no desired product. The solvent was removed and the residue was heated at 120 C for 5h. LC-MS indicated that the starting material was gone. The mixture was concentrated under vacuo and the residue was used to next step without further purification. LC-MS, 237 (M+l).

Reference： [1]Patent: WO2015/27015,2015,A1 .Location in patent: Page/Page column 63; 64

12
[ 1072945-86-8 ]
4-((4-bromo-2-fluorophenoxy)methyl)-1-((1-(trifluoromethyl)cyclobutyl)methyl)piperidine [ No CAS ]
methyl 5-(3-fluoro-4-((1-((1-(trifluoromethyl)cyclobutyl)methyl)piperidin-4-yl)methoxy)phenyl)picolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
8%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,2-dimethoxyethane; water; at 110℃; for 0.25h;Microwave irradiation;	To 4-((4-bromo-2-fluorophenoxy)methyl)-1-((1-(trifluoromethyl)cyclobutyl)methyl)piperidine (the product of synthesis step 2 of compound 847; 856 mg, 2.02 mmol), 6-methoxycarbonyl)pyridine-3-yl boronic acid (402 mg, 2.22 mmol), Pd(dppf)Cl2 (165 mg, 0.20 mmol) and Cs2CO3 (1.31 g, 4.04 mmol), DME (6 mL) H2O (2 mL) was added, With a microwave radiation, the mixture was heated at 110 C. for 15 minutes, and then cooled to room temperature. The reaction mixture was added with water, and extracted with EtOAc. The obtained organic layer was washed with saturated aqueous brine solution, and then. The organic layer was dried over anhydrous MgSO4, and filtered. The filtrate was concentrated under reduced pressure. The obtained concentrate was purified by silica gel column chromatography (EtOAchexane=30%70%) to yield the title compound as white solid (80 mg, 8%)

Reference： [1]Patent: US2015/166480,2015,A1 .Location in patent: Paragraph 1113

13
[ 851435-28-4 ]
[ 1072945-86-8 ]
5-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)picolinic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.729 g	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; water; toluene; at 135℃;Sealed tube;	2-chloro-6-methyl-N-(5-methyl- 1 Hpyrazol-3 -yl)pyrimidin-4-amine (2.05g, 9.17 mmol) (6 (methoxycarbonyl)pyridin-3-yl)boronic acid (2.65g, 1.6 eq), and Pd(PPh3)4 (0.5 g, 0.05 eq)and sodium carbonate (1.94g, 2 eq) were suspended in a mixture of ethanol (22.9 mL) toluene (11.5 mL) and water (11.5 mL) in a sealed tube. The tube was capped and heated with stirring 135C overnight. LC-MS showed the reaction was about 60-70% complete. LC-MS showed unreacted chloropyrimidine in addition to desired product. An additional 2.4 g of) (6 (methoxycarbonyl)pyridin-3-yl)boronic acid, 530 mg of Pd(PPh3)4, and 1.9 g of sodium carbonate were added. The reaction mixture was stirred overnight at 135C after degassing with nitrogen. After heating an additional 14 hours at 135-140C. LC-MS showed at least 90% conversion to the desired product, 100% hydrolyzed to the carboxylic acid. The reaction was treated with water (-15 mL and 3 x 10 mL washes), and a light orange solid was removed by filtration. The filtrate was concentrated down to 1/2 volume, and extracted with EtOAc (-15 mL). The layers were separated, and the aqueous layer was carefully acidified to pH 4.5-5 with concentrated HC1. A fine, light orange solid was slowly isolated by filtration (overnight). The wet cake was washed with water (2 x 5 mL). After most of the water had been filtered off, the wet cake was dissolved into 500 mL of 1:1 MeOH/DCM. The mixture was sonicated until all the product was dissolved. The solution was dried over 5-6 g of magnesium sulfate, which was then removed by filtration. The filtrate was concentrated down and dried to yield 1.729 g of yellow /light orange solid. LC-MS confirmed desired product in 90-95% purity.

Reference： [1]Patent: WO2016/127074,2016,A1 .Location in patent: Page/Page column 29

14
[ 1072945-86-8 ]
C₂₂H₁₈BrN₃O₂S [ No CAS ]
C₂₈H₂₂N₄O₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,2-dimethoxyethane; ethanol; water; at 90℃; for 2h;Inert atmosphere;	To a solution of Pd(PPh3)2C12 (21.1 mg,0. 03 mmol) in EtOH/H20/DME (2/1/2, 25 mL) were added compound from Example 17 step a(140 mg, 0.3 mmol), K2C03 (62.1 mg, 0.45 mmol)and [6-(methoxycarbonyl)pyridin-3-yljboronic acid (65.2 mg, 0.36 mmol). The mixture was stirred for 2 h at 90C under N2. Then ethyl acetate (20 mL) and H20 (30 mL) were added to the mixture. The precipitate was collected by filtration to afford the product as a purple solid (102 mg, 67%). ESI MS m/z = 511.10 [M+Hf

Reference： [1]Patent: WO2017/123884,2017,A1 .Location in patent: Page/Page column 135

15
[ 1072945-86-8 ]
C₁₄H₁₄ClN₅ [ No CAS ]
C₂₁H₂₀N₆O₂ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 1336 - 1341

16
[ 1072945-86-8 ]
3-bromo-N-[2-(3-fluorophenyl)-ethyl]-5-trifluoromethyl-benzenesulfonamide [ No CAS ]
5-{3-[2-(3-fluoro-phenyl)-ethylsulfamoyl]-5-trifluoromethyl-phenyl}-pyridine-2-carboxylic acid methyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67%		4.2.10 5-{3-[2-(3-Fluoro-phenyl)-ethylsulfamoyl]-5-trifluoromethyl-phenyl}-pyridine-2-carboxylic acid methyl ester (9) Compound 9 was obtained as a white solid following the general procedure using <strong>[1072945-86-8]2-(methylcarboxy)pyridine-5-boronic acid</strong>. RP-HPLC tR?=?27.3?min, gradient condition: from 5% B to 100% B in 50?min. 1H NMR (CDCl3, 400?MHz): 8.91 (d, J?=?2.3?Hz, 1H); 8.22 (d, J?=?8.1?Hz, 1H); 8.14 (bs, 1H); 8.06 (bs, 1H); 8.01 (dd, J?=?8.1, 2.3?Hz, 1H); 7.96 (bs, 1H); 7.13 (td, J?=?7.9, 6.0?Hz, 1H); 6.82-6.76 (m, 2H); 6.69 (dt, J?=?9.6, 2.0?Hz, 1H); 4.73 (bs, 1H); 3.99 (s, 3H); 3.28 (q, J?=?6.3?Hz, 2H); 2.76 (t, J?=?6.7?Hz, 2H). ESMS: m/z calcd for C22H19F4N2O4S [M+ H]+ 483.09; found 483.4.

Reference： [1]European Journal of Medicinal Chemistry,2018,vol. 152,p. 253 - 263

17
[ 1072945-86-8 ]
[ 36798-09-1 ]
methyl 5-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)picolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63%	With tetrakis(triphenylphosphine) palladium(0); caesium carbonate; In 1,4-dioxane; at 80℃; for 3h;Inert atmosphere;	Into a 100-mL round-bottom flask, was placed a mixture of 1-(benzyloxy)-4-bromo-2-methoxy-5-nitrobenzene (2.0 g, 5.91 mmol, 1.00 eq.), dioxane (50 mL), water (10 mL), <strong>[1072945-86-8][6-(methoxycarbonyl)pyridin-3-yl]boronic acid</strong> (1.61 g, 8.90 mmol, 1.50 eq.), Cs2CO3 (5.78 g, 17.74 mmol, 3.00 eq.) and Pd(PPh3)4 (0.34 g, 0.30 mmol, 0.05 eq.). The resulting mixture was stined for 3 h at 80C under N2 and concentrated under vacuum. The residue was purified by a silica gel column eluted with ethyl acetate/petroleum ether (1/1) to provide methyl 5-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)picolinate (1.47 g, 63%). MS (ESI, pos. ion) mlz: 395.1 (M+1).

Reference： [1]Patent: WO2018/226998,2018,A1 .Location in patent: Page/Page column 149

18
[ 1072945-86-8 ]
(trans)-4-(5-bromo-2-(((S)-1-methoxypropan-2-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclohexan-1-ol [ No CAS ]
methyl 5-(7-((trans)-4-hydroxycyclohexyl)-2-(((S)-1-methoxypropan-2-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl)picolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
142 mg	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate; In 1,4-dioxane; water;Heating;	A mixture of (trans)-4-(5-bromo-2-(((S)-1-methoxypropan-2-yl)amino)pyrrolo[2,1- f][1,2,4]triazin-7-yl)cyclohexan-1-ol (527 mg, 1.37 mmol), (6-(Methoxycarbonyl)pyridin-3- yl)boronic acid (1.06 g, 5.88 mmol) and sodium hydrogenocarbonate (137 muL, 3.52 mmol) in dioxane and H2O (2.11 mL) was degassed by bubbling N2 through the mixture for 5 min. The mixture was then treated with PdCl2dppf (102 mg, 137 mumol) and heated at 80C. After heating for 1 h the reaction was treated with 0.5 equiv boronate, and 1 equiv (NaHCO3). The reaction was allowed to heat overnight. The mixture was cooled to RT and then poured into H2O, diluted with EtOAc, and filtered through Celite. The layers were separated and the aq. phase was extracted with EtOAc (X3). The combined organic layers were washed (H2O, brine), dried (Na2SO4) and concentrated in vacuo. The residue was purified by column chromatography (Combiflash, 10 g column, 0 to 30% IPA in DCM). we obtained a yellow-orange foam (142 mg).

Reference： [1]Patent: WO2019/74962,2019,A1 .Location in patent: Paragraph 0261

19
[ 1072945-86-8 ]
5-(7-(4-hydroxycyclohexyl)-2-(((S)-1-methoxypropan-2-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl)-N-isopropylpicolinamide [ No CAS ]

Reference： [1]Patent: WO2019/74962,2019,A1

20
[ 1072945-86-8 ]
5-(7-((trans)-4-hydroxycyclohexyl)-2-(((S)-1-methoxypropan-2-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl)picolinic acid [ No CAS ]

Reference： [1]Patent: WO2019/74962,2019,A1

21
[ 1072945-86-8 ]
(nosyl)ethyl-4-((3-azidopropyl)carbamoyl)-2-iodobenzoic amide [ No CAS ]
C₂₆H₂₆N₈O₈S [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2019,vol. 58,p. 9570 - 9574
Angew. Chem.,2019,vol. 131,p. 9671 - 9675,5

22
[ 1072945-86-8 ]
3-(difluoromethyl)-4-nitro-1H-pyrazole [ No CAS ]
tert-butyl N-[2-[2-[2-[[2-(2,6-dioxo-3-piperidyl)-1-oxoisoindolin-5-yl]methylcarbamoylamino]ethoxy]ethoxy]ethyl]carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
27%	With pyridine; oxygen; copper diacetate; In dichloromethane; at 15℃; under 775.743 Torr; for 6h;	To a solution of 3-(difluoromethyl)-4-nitro-1H-pyrazole (200 mg, 1.23 mmol, Intermediate HS), <strong>[1072945-86-8](6-methoxycarbonyl-3-pyridyl)boronic acid</strong> (266 mg, 1.47 mmol, CAS1072945-86-8) in DCM (20 mL) was added Cu(OAc)2 (334 mg, 1.84 mmol) and pyridine (388 mg, 4.91 mmol). The mixture was stirred at 15 C. for 6 hrs under O2 (15 psi). On completion, the mixture washed with NH3.H2O (100 mL) and then the layers were washed with brine (50 mL), dried over Na2SO4, filtered and concentrated in vacuo. The residue was triturated with PE:EA=1:1 (50 mL) and filtered. The filtered cake was dried in vacuo to give the title compound (100 mg, 27% yield) as a yellow solid. 1H NMR (400 MHz, CDCl3) delta 9.23-9.08 (m, 1H), 8.85 (s, 1H), 8.35 (s, 2H), 7.26-7.06 (t, J=5.2 Hz, 1H), 4.08 (s, 3H).

Reference： [1]Patent: US2019/192668,2019,A1 .Location in patent: Paragraph 4032; 4033

23
[ 1072945-86-8 ]
4-anilino-6-chloro-N-methylquinoline-3-carboxamide [ No CAS ]
methyl 5-[4-anilino-3-(methylcarbamoyl)-6-quinolyl]pyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81.76%		An oven-dried pressure tube was charged with a solution of 4-anilino-6-chloro-N-methyl-quinoline-3-carboxamide (87, 456.08 mg, 1 .46 mmol) in dioxane (10 mL) and cesium carbonate (1.19 g, 3.66 mmol) and <strong>[1072945-86-8](6-methoxycarbonyl-3-pyridyl)boronic acid</strong> (88c, 317.66 mg, 1.76 mmol) were added. The reaction mixture was purged with nitrogen for 5 minutes and XPhos (224.95 mg, 292.58 mhio) and Pd?.(dba)3 (133.96 mg, 146.29 mhio) were added. The reaction mixture was heated to 100C for 2 hours and cooled to room temperature. The reaction mixture was diluted with water (15 mL) and the product was extracted with ethyl acetate (2x 80 mL). The combined organic layers were dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude mixture was purified by column chromatography on silica (4% methanol di chi oromethane) to yield methyl 5-[4-anilino-3-(methylcarbamoyl)-6- quinolyl]pyridine-2-carboxylate (89c, 510 mg, 1.20 mmol, 81.76% yield) as yellow solid. LCMS (ES+): m/z 413 [M + H]+

Reference： [1]Patent: WO2020/51235,2020,A1 .Location in patent: Page/Page column 267; 277; 279

24
[ 1072945-86-8 ]
4-anilino-6-bromo-N-cyclopropyl-7-methoxyquinoline-3-carboxamide [ No CAS ]
methyl 5-[4-anilino-3-(cyclopropylcarbamoyl)-7-methoxy-6-quinolyl]pyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
170 mg		Into a 20 rnL sealed tube containing a mixture of (6- methoxycarbonyl-3-pyridyl)boronic acid (108c, 179.08 mg, 989.62 pmol) and 4-anilino-6-bromo- N-cyclopropyl-7-methoxy-quinoline-3-carboxamide (107c, 340 mg, 824.68 pmol) in water (0.5 mL) and dioxane (3 mL) was added potassium phosphate tribasic anhydrous (437.64 mg, 2.06 mmol). Argon gas as bubbled through the reaction mixture for 10 minutes before 1,1'- bis(diphenylphosphino)ferrocene]dichloropalladium(II) was added and the resulting suspension was purged with argon gas for an additional 10 minutes. The contents were stirred at 90 C under closed condition. The reaction was monitored by TLC and found complete by 3 hours. The reaction mixture was passed through a pad of Celite and the filtrate was concentrated under reduced pressure to afford the crude mass. The crude material w'as purified by a silica-gel (230-400 mesh) with 1 :9 MeOH/DCM to generate methyl 5-[4-anilino-3-(cyclopropylcarbamoyl)-7-methoxy-6- quinoyl]pyridine-2~carboxylate (109f, 170 mg, 362.86 pmol, 44.00% yield) as a brown gummy li qui d. LCMS [469 2(M+H)?] .

Reference： [1]Patent: WO2020/51235,2020,A1 .Location in patent: Page/Page column 267; 286-288; 294

25
[ 1072945-86-8 ]
4-anilino-6-bromo-N-tert-butyl-7methoxyquinoline-3-carboxamide [ No CAS ]
methyl 5-[4-anilino-3-(tert-butylcarbamoyl)-7-methoxy-6-quinolyl]pyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79.56%		Into a 20 rnL sealed tube containing a mixture of (6- methoxycarbonyl-3-pyridyl)boronic acid (108c, 50.70 mg, 280.16 pmol) and 4-anilino-6-bromo- N-tert-butyl-7-methoxy-quinoline-3-carboxamide (107d, 100 mg, 233.47 mhio) in water (0.5 mL) and dioxane (3 mL) was added potassium phosphate tribasic anhydrous (123.89 mg, 583.67 pmol). Argon gas was bubbled through the reaction mixture for 10 minutes before 1,1 '- Bis(diphenylphosphino)ferrocene]dichloropalladium(II (17.08 mg, 23.35 pmol) added and again the resulting suspension was purged with argon gas for additional 10 minutes. The contents were stirred at 90 C under closed condition. The reaction was monitored by TLC and found complete by 3 h. The reaction mixture was passed through a pad of Celite, and the filtrate was concentrated under reduced pressure to get the crude mass. The crude material w'as purified by a silica-gel (230- 400 mesh) with 1 :9 MeOH/DCM to generate methyl 5-[4-anilino-3-(tert-butylcarbamoyl)-7- methoxy-6~quinoiyl]pyridine-2-earboxyiate (109e, 90 mg, 185.74 pmol, 79.56% yield) as a brown gummy liquid. The desired product was characterized by LCMS[485.2(M+H)+]

Reference： [1]Patent: WO2020/51235,2020,A1 .Location in patent: Page/Page column 267; 286-288; 294

26
[ 1072945-86-8 ]
4-anilino-6-bromo-7-methoxy-N-methylquinoline-3-carboxamide [ No CAS ]
methyl 5-[4-anilino-7-methoxy-3-(methylcarbamoyl)-6-quinolyl]pyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66.75%		An oven dried pressure tube was charged with a. solution of 4-anilino-6-bromo-7-methoxy-N-methyl-quinoline-3-carboxamide (107e, 400 mg, 1 04 mmol) in 1,4-dioxane (8 mL) and <strong>[1072945-86-8](6-methoxycarbonyl-3-pyridyl)boronic acid</strong> (108c, 206.14 mg, 1.14 mmol) was added. The reaction mixture was purged with nitrogen for 5 minutes before Pd(dppf)Cl2-CH2Cl2 (84 57 mg, 103.56 pmol) was added. The reaction mixture was heated to 90C for 2 hours and the reaction mixture was cooled to room temperature. The reaction mixture was diluted with water (10 mL) and the product was extracted with ethyl acetate (2x 50 mL). The combined organic layers were dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude mixture was purified by column chromatography on silica (3% methanoMichloromethane) to yield methyl 5-[4-anilino-7-methoxy-3-(methylcarbamoyl)-6- quinolyl]pyridine-2-carboxylate (109d, 450 mg, 691.27 pmol, 66.75% yield) as brown solid. LCMS (ES+): m/z 443 [M + 1 11

Reference： [1]Patent: WO2020/51235,2020,A1 .Location in patent: Page/Page column 267; 286-288; 293-294

27
[ 1072945-86-8 ]
4-(3-bicyclo[1.1.1]pentanylamino)-6-bromo-7-fluoro-N-methylquinoline-3-carboxamide [ No CAS ]
methyl 5-[4-(3-bicyclo[1.1.1]pentanylamino)-7-fluoro-3-(methylcarbamoyl)-6-quinolyl]pyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56.31%	With potassium phosphate; In 1,4-dioxane; water; at 80℃; for 2h;Inert atmosphere; Sealed tube;	To a solution of 4-(3-bicyclo[l. l .ljpentanylamino)- 6-bromo-7-fluoro-N-methyl-quinoline-3-carboxamide (137c, 120 mg, 329.48 pmol) and (6- m ethoxy carbonyl -3 -pyridyl)boronic acid (138c, 71.54 mg, 395 37 pmol) in 1,4-dioxane (6 mL) and water (2 mL) was added potassium phosphate tribasic (174.85 mg, 823.70 pmol) and Pd(dppf)Cb (24.11 mg, 32.95 pmol). The resulting mixture was stirred for 2 hours at 80 C. The reaction was then cooled to ambient temperature, diluted with water, and extracted with ethyl acetate (3x20 mL). The combined organic extracts were dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The resulting crude material was purified by column chromatography on silica eluted with 5% methanol in dichloromethane to yield methyl 5- [4-(3-bicyclo[l .1.1 ]pen?anylamino)-7-fluoro-3-(methylcarbamoyl)-6-quinolyl]pyridine-2- carboxylate (139d, 120 mg, 185.52 pmol, 56.31% yield) as an pale brown colored solid. LCMS (i -.S ). m/z 421 [M + H]+

Reference： [1]Patent: WO2020/51235,2020,A1 .Location in patent: Page/Page column 267; 307-308; 313-314

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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. 1072945-86-8 ]

Quality Control of [ 1072945-86-8 ]

Related Doc. of [ 1072945-86-8 ]

Product Details of [ 1072945-86-8 ]

Calculated chemistry of [ 1072945-86-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1072945-86-8 ]

Application In Synthesis of [ 1072945-86-8 ]

[ 1072945-86-8 ] Synthesis Path-Downstream 1~27

Related Functional Groups of [ 1072945-86-8 ]

Organoboron

Esters

Related Parent Nucleus of [ 1072945-86-8 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

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Inquiry

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[ 1072945-86-8 ]

Related Parent Nucleus of
[ 1072945-86-8 ]