CAS No.741709-63-7,2-CYANOPYRIDINE-5-BORONIC ACID PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	741709-63-7
Name:	2-CYANOPYRIDINE-5-BORONIC ACID PINACOL ESTER
Article Data:	8

Formula:	C₁₂H₁₅BN₂O₂
Molecular Weight:	230.074
Synonyms:	(2-Cyanopyridin-5-yl)boronicacid pinacol ester;2-Cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-2-carbonitrile;
Density:	1.1 g/cm³
Melting Point:	105-106℃
Boiling Point:	370.7 °C at 760 mmHg
Flash Point:	178 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	55.14000
LogP:	1.25248

Synthetic route

: 97483-77-7
2-Cyano-5-bromopyridine

: 73183-34-3
bis(pinacol)diborane

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

Conditions

Conditions	Yield
With potassium acetate; palladium dichloride In dichloromethane; dimethyl sulfoxide at 90℃; for 6h;	85%
With triisopropylsilanethiol; N,N,N',N'-tetramethylguanidine In acetonitrile at 30℃; for 2h; Reagent/catalyst; Irradiation; Inert atmosphere; Sealed tube;	68%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In dimethyl sulfoxide at 80℃; for 25h;	64%

: 31181-90-5
5-bromo-pyridine-2-carbaldehyde

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / I2; aq. NH3 / tetrahydrofuran / 4 h / 20 °C 2: 64 percent / PdCl2(dppf); KOAc / dimethylsulfoxide / 25 h / 80 °C View Scheme

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: 880495-82-9
C-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-methylamine

Conditions

Conditions	Yield
With hydrogen; acetic acid; palladium on activated charcoal at 20℃; for 16h;	100%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: tert-butyl [(1S)-1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethyl]carbamate

: tert-butyl {(1S)-1-[5-chloro-3-(6-cyanopyridin-3-yl)-2-methoxy-4-methylphenyl]ethyl}carbamate

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In acetonitrile at 95℃; for 2h; Inert atmosphere;	91%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: tert-butyl (((3S,3aS)-7-bromo-1-oxo-3,3a-dihydro-1H,9H-benzo[e]oxazolo[4,3-b][1,3]oxazin-3-yl)methyl)carbamate

: tert-butyl (((3S,3aS)-7-(6-cyanopyridin-3-yl)-1-oxo-3,3a-dihydro-1H,9H-benzo[e]oxazolo[4,3-b][1,3]oxazin-3-yl)methyl)carbamate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; dimethyl sulfoxide at 100℃; for 5h; Inert atmosphere;	89%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: 954123-89-8
tert-butyl 4-((5-bromo-2-methoxybenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

: 954123-95-6
tert-butyl 4-((5-(6-cyanopyridin-3-yl)-2-methoxybenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

Conditions

Conditions	Yield
With potassium hydroxide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran; water at 120℃; for 1h; Sealed tube; Microwave irradiation;	88%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: tert-butyl (((3S,3aS)-7-bromo-6-fluoro-1-oxo-3,3a-dihydro-1H,9hbenzo[e]oxazolo[4,3-b][1,3]oxazin-3-yl)methyl)carbamate

: tert-butyl (((3S,3aS)-7-(6-cyanopyridin-3-yl)-6-fluoro-1-oxo-3,3a-dihydro-1H,9H-benzo[e]oxazolo[4,3-b][1,3]oxazin-3-yl)methyl)carbamate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; dimethyl sulfoxide at 100℃; for 5h; Inert atmosphere;	88%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: 32779-36-5
5-Bromo-2-chloropyrimidine

: 951657-94-6
2,5-bis-(2'-cyanopyridin-5'-yl)-pyrimidine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In methanol; water; toluene at 80℃; Suzuki coupling; Inert atmosphere;	78%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: 7-tert-butoxycarbonyl-2-exo-(2′-amino-3′-bromo-5′-pyridinyl)-7-azabicyclo[2.2.1]heptane

: 7-tert-butoxycarbonyl-2-exo-[2'-amino-3'-(6-cyanopyridin-3-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane

Conditions

Conditions	Yield
With sodium carbonate; tris-(o-tolyl)phosphine; palladium diacetate In 1,2-dimethoxyethane; water at 80℃; for 5h; Suzuki coupling;	74%

: 741709-63-7
2-cyanopyridine-5-boronic acid pinacol ester

: 1155287-84-5
6-bromomethyl-4-(3-chloro-phenyl)-5-fluoro-benzothiazole

: 1155286-87-5
5-[4-(3-chloro-phenyl)-5-fluoro-benzothiazol-6-ylmethyl]-pyridine-2-carbonitrile

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water; toluene at 80℃; for 1.25h;	73%

Total:71 Page 1 of 2 1 2 Next>>

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Specification

This chemical is called 2-Pyridinecarbonitrile,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, and its systematic name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile. With the molecular formula of C₁₂H₁₅BN₂O₂, its molecular weight is 230.07. The CAS registry number of this chemical is 741709-63-7. Additionally, its product categories are Boronic Ester; Organo Borons; Pyridine.

Other characteristics of the 2-Pyridinecarbonitrile,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 55.14 Å²; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 61.82 cm³; (7)Molar Volume: 207.8 cm³; (8)Polarizability: 24.5×10^-24cm³; (9)Surface Tension: 40.7 dyne/cm; (10)Density: 1.1 g/cm³; (11)Flash Point: 178 °C; (12)Enthalpy of Vaporization: 61.76 kJ/mol; (13)Boiling Point: 370.7 °C at 760 mmHg; (14)Vapour Pressure: 1.09E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2ncc(B1OC(C)(C)C(O1)(C)C)cc2
2.InChI: InChI=1/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9/h5-6,8H,1-4H3
3.InChIKey: IXTBQKLZPOYJFJ-UHFFFAOYAI