[ CAS No. 19006-81-6 ] 4-Phenylpyridin-2-ol

Cat. No.: A111730

2D 3D

Structure of 19006-81-6 * Storage: Sealed in dry,Room Temperature

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Quality Control of [ 19006-81-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 19006-81-6 ]

Specification

Alternatived Products of [ 19006-81-6 ]

Product Details of [ 19006-81-6 ]

CAS No. :	19006-81-6	MDL No. :	MFCD07437954
Formula :	C₁₁H₉NO	Boiling Point :	-
Linear Structure Formula :	NC₅H₂C₆H₅OH₂	InChI Key :	DNUDULSSNHKPHP-UHFFFAOYSA-N
M.W :	171.20	Pubchem ID :	598786
Synonyms :

Calculated chemistry of [ 19006-81-6 ] Expand+

Safety of [ 19006-81-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 19006-81-6 ]

* 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 [ 19006-81-6 ]

[ 19006-81-6 ] Synthesis Path-Downstream 1~20

1
[ 1131-61-9 ]
[ 109-89-7 ]
[ 939-23-1 ]
[ 19006-81-6 ]
[ 118158-22-8 ]
[ 118158-21-7 ]

Reference： [1]Heterocycles,1988,vol. 27,p. 113 - 124

2
[ 1131-61-9 ]
[ 939-23-1 ]
[ 19006-81-6 ]
[ 118158-22-8 ]
[ 118158-21-7 ]

Reference： [1]Heterocycles,1988,vol. 27,p. 113 - 124

3
[ 19006-81-6 ]
[ 49748-63-2 ]
[ 127956-40-5 ]

Reference： [1]Tetrahedron,1989,vol. 45,p. 7093 - 7098

4
[ 19006-81-6 ]
[ 14677-99-7 ]
[ 127956-37-0 ]

Reference： [1]Tetrahedron,1989,vol. 45,p. 7093 - 7098

5
[ 19006-81-6 ]
[ 74-88-4 ]
[ 53698-46-7 ]

Reference： [1]Tetrahedron,1989,vol. 45,p. 7093 - 7098

6
[ 19006-81-6 ]
[ 74-88-4 ]
[ 67970-80-3 ]

Reference： [1]Tetrahedron,1989,vol. 45,p. 7093 - 7098
[2]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2313 - 2322

8
[ 14371-10-9 ]
[ 107-91-5 ]
[ 19006-81-6 ]

Reference： [1]Journal of Organic Chemistry,2002,vol. 67,p. 4304 - 4308

9
[ 19006-81-6 ]
[ 37520-85-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2313 - 2322

10
[ 19006-81-6 ]
5-Fluoro-3-[2-(4-phenyl-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		5-Fluoro-3-[2-(4-phenyl-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid (1A-4) was prepared from 4-phenylpyrimin-2-one (Iwasaki et al, J. Med. Chem. 1996, 39, 2696) in a manner similar to that described in Example 2 to provide a colorless solid: IR (solid) 3307.5, 3216.5, 1787.8, 1659.7, 1582.9, 1567.6, 1219.4, 1055.5, 927.5, 763.6 cm-1; 1H NMR (400 MHz, DMSO) delta 2.66 (1H, m), 2.85 (1H, m), 4.31-4.72 (3H, m), 5.28 (2H, m), 6.59 (1H, m), 6.69 (1H, m), 7.51 (3H, m), 7.70 (3H, m), 8.50-8.95 (1H, br); 13C NMR (100 MHz, DMSO) delta 33.2, 34.7, 47.6, 50.8, 51.4, 52.3, 83.6, 85.4, 103.8, 104.0, 104.2 104.3, 115.3, 127.0, 129.4, 129.9, 137.1, 140.7, 151.4, 151.6, 161.9, 162.0, 167.8, 168.2, 172.1, 173.1, 202.7, 202.9; 19F (376 MHz, DMSO) delta -226.8 (t), -231.8 (t), -233.27 (t).

Reference： [1]Patent: US2003/232846,2003,A1 .Location in patent: Page 11

11
[ 1131-61-9 ]
[ 19006-81-6 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; acetic anhydride; ethyl acetate;	4-Phenyl-2-pyridone (D1) A solution of 4-phenylpyridine-N-oxide (8.55 g, 50 mmol) in acetic anhydride (250 ml) was heated under reflux for sixteen hours. Acetic anhydride was then removed under vacuum and the residue was dissolved in absolute ethanol (200 ml) and 80% sodium hydride (1.5 g, 50 mmol) was added in small portions. The mixture was stirred for 2 hours under nitrogen, then evaporated and the residue was dissolved in ethyl acetate and dilute hydrochloric acid. The phases were separated and the aqueous phase was basified (sodium bicarbonate) and re-extracted (ethyl acetate). The aqueous phase was filtered to give the solid product which was recrystallized from ethyl acetate/methanol to give pure product, 3.76 g, Mp 226-230 C. The combined organic extracts were evaporated to give a further quantity (1.58 g) of impure product.

Reference： [1]Patent: US5189047,1993,A

12
[ 19006-81-6 ]
[ 132222-38-9 ]
[ 1202927-35-2 ]

Yield	Reaction Conditions	Operation in experiment
25%	With 6-hydroxyquinoline; potassium carbonate;copper(l) iodide; In N,N-dimethyl-formamide; at 130℃; for 18h;	Synthesis of Lambda/-benzyl-2-(2-oxo-4-phenylpyridin-1 (2H)-yl)isonicotinamide <n="130"/>A degassed mixture of Lambda/-benzyl-2-chloroisonicotinamide (0.25 g, 1.01 mmol), 4- phenylpyridin-2(1 H)-one (0.17 g, 0.91 mmol), potassium carbonate (0.20 g, 1.44 mmol), 8-hydroxyquiniline (0.02 g, 0.14 mmol) and copper(l) iodide (0.03 g, 0.14 mmol) in N, N- dimethylformamide (3.0 ml.) was heated at 130 C for 18 hours. The resulting solution was cooled to ambient temperature, quenched with ammonium hydroxide solution (10 ml.) and extracted with ethyl acetate (2 x 25 ml_). The organic solution was dried over anhydrous sodium sulphate, filtered and concentrated in vacuo. The residue was purified by column chromatography to give Lambda/-benzyl-2-(2-oxo-4-phenylpyridin-1 (2H)- yl)isonicotinamide as a colorless solid (0.10 g, 25%): mp 162-163 0C; 1H NMR (300 MHz, DMSO-cfe) delta 9.43 (t, J = 5.1 Hz, 1 H), 8.73 (d, J = 5.1 Hz, 1 H), 8.24, (s, 1 H), 7.99 (d, J = 7.3 Hz, 1 H), 7.89 (d, J = 5.1 Hz, 1 H), 7.79-7.76 (m, 2H), 7.54-7.45 (m, 3H), 7.36-7.18 (m, 5H), 6,82 (s, 1 H), 6.76 (d, J = 7.3 Hz, 1 H), 4.48 (d, J = 5.7 Hz, 2H); 13C NMR (75 MHz, DMSO-CZ6) delta 164.2, 161.6, 152.7, 152.0, 150.2, 143.6, 139.4, 137.4, 136.6, 130.5, 129.6, 128.8, 127.9, 127.4, 127.3, 121.6, 119.9, 116.8, 105.6, 43.3; MS (ES+) m/z 382.6 (M +1 ).

Reference： [1]Patent: WO2009/156484,2009,A2 .Location in patent: Page/Page column 128-129

13
[ 19006-81-6 ]
[ 1370698-60-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2464 - 2469

14
[ 19006-81-6 ]
C₃₁H₃₀F₂N₄O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2464 - 2469

15
[ 19006-81-6 ]
[ 171197-80-1 ]
C₁₆H₁₁FN₂O [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2464 - 2469

16
[ 1131-61-9 ]
[ 883874-73-5 ]
[ 19006-81-6 ]

Reference： [1]Organic Letters,2015,vol. 17,p. 3726 - 3729

17
[ 19006-81-6 ]
3-fluoro-4-phenylpyridin-2(1H)-one [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 4858 - 4861

18
[ 41220-29-5 ]
[ 104-55-2 ]
[ 19006-81-6 ]

Reference： [1]Organic Letters,2019,vol. 21,p. 9667 - 9671

19
[ 19006-81-6 ]
1-benzyl-6-(2-fluorobenzyl)-4-phenyl-3,6-dihydropyridin-2(1H)-one [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 9667 - 9671

20
[ 19006-81-6 ]
[ 100-39-0 ]
[ 1042036-55-4 ]

Reference： [1]Organic Letters,2019,vol. 21,p. 9667 - 9671

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Technical Information

• Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chugaev Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Hydride Reductions • Jones Oxidation • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions of Benzene and Substituted Benzenes • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Swern Oxidation

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Num. heavy atoms :	13
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	51.7
TPSA :	33.12 Å²

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.6 cm/s

Log Po/w (iLOGP) :	1.79
Log Po/w (XLOGP3) :	2.46
Log Po/w (WLOGP) :	2.45
Log Po/w (MLOGP) :	1.88
Log Po/w (SILICOS-IT) :	2.54
Consensus Log Po/w :	2.23

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

Log S (ESOL) :	-3.07
Solubility :	0.146 mg/ml ; 0.000855 mol/l
Class :	Soluble
Log S (Ali) :	-2.8
Solubility :	0.272 mg/ml ; 0.00159 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.96
Solubility :	0.0187 mg/ml ; 0.000109 mol/l
Class :	Soluble

[ CAS No. 19006-81-6 ] 4-Phenylpyridin-2-ol

Quality Control of [ 19006-81-6 ]

Related Doc. of [ 19006-81-6 ]

Product Details of [ 19006-81-6 ]

Calculated chemistry of [ 19006-81-6 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 19006-81-6 ]

Application In Synthesis of [ 19006-81-6 ]

[ 19006-81-6 ] Synthesis Path-Downstream 1~20

Technical Information