Product Name

  • Name

    5-PHENYL-3-PYRIDINYL BORONIC ACID

  • EINECS
  • CAS No. 850991-38-7
  • Article Data5
  • CAS DataBase
  • Density 1.243 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H10BNO2
  • Boiling Point 439.279 °C at 760 mmHg
  • Molecular Weight 199.017
  • Flash Point 219.468 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 850991-38-7 (5-PHENYL-3-PYRIDINYL BORONIC ACID)
  • Hazard Symbols
  • Synonyms 5-Phenylpyridine-3-boronic acid;
  • PSA 53.35000
  • LogP 0.42840

Synthetic route

(5-bromopyridin-3-yl)boronic acid MIDA ester

(5-bromopyridin-3-yl)boronic acid MIDA ester

phenylboronic acid
98-80-6

phenylboronic acid

(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

Conditions
ConditionsYield
With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; water In tetrahydrofuran at 90℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; Sealed tube; Microwave irradiation;76%
3-bromo-5-phenylpyridine
142137-17-5

3-bromo-5-phenylpyridine

(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

Conditions
ConditionsYield
Stage #1: 3-bromo-5-phenylpyridine With n-butyllithium; Triisopropyl borate In toluene at -60 - -10℃; for 1h;
Stage #2: With hydrogenchloride; water In toluene
With tetrahydroxydiboron; (2’-amino-[1,1'-biphenyl]-2-yl)palladium(II) chloride di(adamantan-1-yl)(butyl)phosphine complex; N-ethyl-N,N-diisopropylamine In methanol at 50℃; for 1h; Inert atmosphere;
Triisopropyl borate
5419-55-6

Triisopropyl borate

3-bromo-5-phenylpyridine
142137-17-5

3-bromo-5-phenylpyridine

(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

Conditions
ConditionsYield
Stage #1: Triisopropyl borate; 3-bromo-5-phenylpyridine With n-butyllithium In toluene at -60 - -10℃; for 1h; Inert atmosphere;
Stage #2: With hydrogenchloride In water; toluene Inert atmosphere;
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

4-((5-phenyl-3-pyridinyl)oxy)benzaldehyde
1446754-47-7

4-((5-phenyl-3-pyridinyl)oxy)benzaldehyde

Conditions
ConditionsYield
With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h;92%
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
850991-63-8

ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate

ethyl 7-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
850991-87-6

ethyl 7-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate

Conditions
ConditionsYield
With sodium carbonate; lithium chloride; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 95℃; for 2h; Suzuki Coupling;90%
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

o-nitrobenzonitrile
612-24-8

o-nitrobenzonitrile

2-((5-phenyl-3-pyridinyl)oxy)benzonitrile
1446754-51-3

2-((5-phenyl-3-pyridinyl)oxy)benzonitrile

Conditions
ConditionsYield
With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h;87%
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

C30H15BrN2S

C30H15BrN2S

C41H23N3S

C41H23N3S

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; toluene at 120℃; for 4h;73%
3-bromo-1H-indazol-5-amine
478837-59-1

3-bromo-1H-indazol-5-amine

(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

C18H14N4

C18H14N4

Conditions
ConditionsYield
With potassium phosphate; palladium diacetate; ruphos In 1,4-dioxane; water at 140℃; for 0.5h; Suzuki-Miyaura Coupling; Microwave irradiation;68%
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

2-nitro-benzaldehyde
552-89-6

2-nitro-benzaldehyde

2-((5-phenyl-3-pyridinyl)oxy)benzaldehyde
1446754-49-9

2-((5-phenyl-3-pyridinyl)oxy)benzaldehyde

Conditions
ConditionsYield
With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h;57%
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

4-nitrobenzonitrile
619-72-7

4-nitrobenzonitrile

4-((5-phenyl-3-pyridinyl)oxy)benzonitrile
1446754-50-2

4-((5-phenyl-3-pyridinyl)oxy)benzonitrile

Conditions
ConditionsYield
With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h;57%
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

2-chloro-6,7-dimethoxy-3H-quinazolin-4-one
27631-29-4

2-chloro-6,7-dimethoxy-3H-quinazolin-4-one

2-chloro-6,7-dimethoxy-4-(5-phenyl-3-pyridyl)quinazoline

2-chloro-6,7-dimethoxy-4-(5-phenyl-3-pyridyl)quinazoline

(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

t-butyl 3-trifluoromethanesulfonyloxy-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
850991-21-8

t-butyl 3-trifluoromethanesulfonyloxy-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate

t-butyl 3-trifluoromethanesulfonyloxy-6-azabicyclo[3.2.1]oct-2-ene-6-carboxylate
850991-22-9

t-butyl 3-trifluoromethanesulfonyloxy-6-azabicyclo[3.2.1]oct-2-ene-6-carboxylate

A

C23H26N2O2

C23H26N2O2

B

C23H26N2O2

C23H26N2O2

Conditions
ConditionsYield
With sodium carbonate; lithium chloride; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water for 2.5h; Suzuki Coupling; Heating / reflux;
...Expand
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

2,4-dichloro-5-fluoropyrimidine
2927-71-1

2,4-dichloro-5-fluoropyrimidine

C15H9ClFN3
1044210-50-5

C15H9ClFN3

Conditions
ConditionsYield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In water; toluene Heating / reflux;
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In water; toluene Reflux;
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

4-chloro-2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridine
1323919-28-3

4-chloro-2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridine

2-(5-chloro-2-fluoro-phenyl)-4-(5-phenyl-pyridin-3-yl)-[1,8]naphthyridine
1323916-60-4

2-(5-chloro-2-fluoro-phenyl)-4-(5-phenyl-pyridin-3-yl)-[1,8]naphthyridine

Conditions
ConditionsYield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; for 1.5h; Inert atmosphere;
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane at 90℃; for 1.5h; Inert atmosphere;141 mg
(5-phenylpyridin-3-yl)boronic acid
850991-38-7

(5-phenylpyridin-3-yl)boronic acid

potassium (5-phenylpyridin-3-yl)trifluoroborate
1386231-79-3

potassium (5-phenylpyridin-3-yl)trifluoroborate

Conditions
ConditionsYield
With potassium hydrogenfluoride In methanol; water at 0 - 20℃; for 0.5h; Inert atmosphere;238 mg

5-Phenyl-3-pyridinylboronic acid Specification

The 5-Phenyl-3-pyridinylboronic acid, with the CAS registry number 850991-38-7, is also known as 5-Phenylpyridine-3-boronic acid. This chemical's molecular formula is C11H10BNO2 and molecular weight is 199.01. What's more, its systematic name is (5-Phenyl-3-pyridinyl)boronic acid.

Physical properties of 5-Phenyl-3-pyridinylboronic acid are: (1)ACD/LogP: 1.864; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 163.77; (8)ACD/KOC (pH 7.4): 6.42; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 55.793 cm3; (15)Molar Volume: 160.073 cm3; (16)Polarizability: 22.118×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 219.468 °C; (20)Enthalpy of Vaporization: 73.379 kJ/mol; (21)Boiling Point: 439.279 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)c2ccccc2)(O)O
(2)Std. InChI: InChI=1S/C11H10BNO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8,14-15H
(3)Std. InChIKey: FVWWKNZKPWWOCF-UHFFFAOYSA-N

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