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Cas Database |
| Name |
5-Phenyl-3-pyridinylboronic acid |
EINECS | N/A |
| CAS No. | 850991-38-7 | Density | 1.243 g/cm3 |
| PSA | 53.35000 | LogP | 0.42840 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H10BNO2 | Boiling Point | 439.279 °C at 760 mmHg |
| Molecular Weight | 199.017 | Flash Point | 219.468 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Phenylpyridine-3-boronic acid; |
Article Data | 5 |
5-Phenyl-3-pyridinylboronic acid Synthetic route
- 98-80-6
phenylboronic acid
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
| Conditions | Yield |
|---|---|
| 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% |
- 142137-17-5
3-bromo-5-phenylpyridine
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 5419-55-6
Triisopropyl borate
- 142137-17-5
3-bromo-5-phenylpyridine
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
- 555-16-8
4-nitrobenzaldehdye
- 1446754-47-7
4-((5-phenyl-3-pyridinyl)oxy)benzaldehyde
| Conditions | Yield |
|---|---|
| With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h; | 92% |
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
- 850991-63-8
ethyl 7-(trifluoromethylsulfonyloxy)-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 | Yield |
|---|---|
| With sodium carbonate; lithium chloride; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 95℃; for 2h; Suzuki Coupling; | 90% |
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
- 612-24-8
o-nitrobenzonitrile
- 1446754-51-3
2-((5-phenyl-3-pyridinyl)oxy)benzonitrile
| Conditions | Yield |
|---|---|
| With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h; | 87% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; toluene at 120℃; for 4h; | 73% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; palladium diacetate; ruphos In 1,4-dioxane; water at 140℃; for 0.5h; Suzuki-Miyaura Coupling; Microwave irradiation; | 68% |
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
- 552-89-6
2-nitro-benzaldehyde
- 1446754-49-9
2-((5-phenyl-3-pyridinyl)oxy)benzaldehyde
| Conditions | Yield |
|---|---|
| With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h; | 57% |
- 850991-38-7
(5-phenylpyridin-3-yl)boronic acid
- 619-72-7
4-nitrobenzonitrile
- 1446754-50-2
4-((5-phenyl-3-pyridinyl)oxy)benzonitrile
| Conditions | Yield |
|---|---|
| With C29H26FeN3Pd(1+)*Cl(1-); oxygen; caesium carbonate In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 24h; | 57% |
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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