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Chemistry
Heterocyclic Building Blocks
Pyridines
2-Hydrazinylpyridine hydrochloride
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Hydrazines

[ CAS No. 51169-05-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 51169-05-2
Chemical Structure| 51169-05-2
Structure of 51169-05-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 51169-05-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 51169-05-2 ]

SDS Specification
Alternatived Products of [ 51169-05-2 ]

Product Details of [ 51169-05-2 ]

CAS No. :51169-05-2 MDL No. :MFCD20275393
Formula : C5H8ClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZDCGBGBQRTYDFC-UHFFFAOYSA-N
M.W : 145.59 Pubchem ID :521315
Synonyms :

Calculated chemistry of [ 51169-05-2 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.41
TPSA : 50.94 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.12
Log Po/w (WLOGP) : 0.98
Log Po/w (MLOGP) : 0.47
Log Po/w (SILICOS-IT) : -0.05
Consensus Log Po/w : 0.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.88
Solubility : 1.94 mg/ml ; 0.0133 mol/l
Class : Very soluble
Log S (Ali) : -1.78
Solubility : 2.4 mg/ml ; 0.0165 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.65
Solubility : 3.24 mg/ml ; 0.0222 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 51169-05-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H320-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 51169-05-2 ]

* 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 [ 51169-05-2 ]

[ 51169-05-2 ] Synthesis Path-Downstream   1~52

  • 1
  • [ 51169-05-2 ]
  • C25H36O7 [ No CAS ]
  • [ 54964-53-3 ]
Reference： [1]Journal of Medicinal Chemistry,1975,vol. 18,p. 168 - 172
  • 2
  • [ 21617-15-2 ]
  • [ 51169-05-2 ]
  • [ 155249-79-9 ]
Reference： [1]European Journal of Medicinal Chemistry,1993,vol. 28,p. 837 - 852
  • 3
  • [ 71115-31-6 ]
  • [ 51169-05-2 ]
  • [ 76211-98-8 ]
Reference： [1]Journal of Chemical Research, Miniprint,1985,p. 1478 - 1492
  • 4
  • [ 138356-05-5 ]
  • [ 51169-05-2 ]
  • 4-methyl-3-(4-methylphenyl)-5-phenyl-1-(2-pyridyl)pyrazole [ No CAS ]
Reference： [1]Journal of Chemical Research, Miniprint,1985,p. 1478 - 1492
  • 5
  • [ 51169-05-2 ]
  • [ 138733-42-3 ]
  • [ 152713-67-2 ]
Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 3595 - 3605
  • 6
  • [ 87-56-9 ]
  • [ 51169-05-2 ]
  • [ 78389-19-2 ]
Reference： [1]Journal of Chemical Research, Miniprint,1981,p. 1087 - 1096
  • 7
  • [ 488-11-9 ]
  • [ 51169-05-2 ]
  • [ 78389-21-6 ]
Reference： [1]Journal of Chemical Research, Miniprint,1981,p. 1087 - 1096
  • 8
  • [ 59-67-6 ]
  • [ 51169-05-2 ]
  • [ 201139-17-5 ]
  • 4-{5-[(Pyridine-3-carbonyl)-amino]-1-pyridin-2-yl-1H-pyrazol-3-yl}-benzoic acid [ No CAS ]
Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 9065 - 9068
  • 9
  • [ 503-74-2 ]
  • [ 51169-05-2 ]
  • [ 201139-17-5 ]
  • 4-[5-(3-Methyl-butyrylamino)-1-pyridin-2-yl-1H-pyrazol-3-yl]-benzoic acid [ No CAS ]
Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 9065 - 9068
  • 10
  • [ 107-97-1 ]
  • [ 51169-05-2 ]
  • [ 201139-17-5 ]
  • 4-[5-(2-Methylamino-acetylamino)-1-pyridin-2-yl-1H-pyrazol-3-yl]-benzoic acid [ No CAS ]
Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 9065 - 9068
  • 11
  • [ 51169-05-2 ]
  • [ 201139-17-5 ]
  • 4-(5-Amino-1-pyridin-2-yl-1H-pyrazol-3-yl)-benzoic acid [ No CAS ]
Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 9065 - 9068
  • 12
  • [ 51169-05-2 ]
  • [ 98-59-9 ]
  • [ 201139-17-5 ]
  • 4-[1-Pyridin-2-yl-5-(toluene-4-sulfonylamino)-1H-pyrazol-3-yl]-benzoic acid [ No CAS ]
Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 9065 - 9068
  • 13
  • [ 111008-23-2 ]
  • [ 51169-05-2 ]
  • 2-(5-methyl-1-pyridin-2-yl-pyrazol-3-yl)methyl benzimidazole [ No CAS ]
  • 2-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)methyl benzimidazole [ No CAS ]
Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 4677 - 4680
  • 14
  • [ 111034-80-1 ]
  • [ 51169-05-2 ]
  • 5,6-dimethyl-2-(5-methyl-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-ylmethyl)-1<i>H</i>-benzoimidazole [ No CAS ]
  • 5,6-dimethyl-2-(5-methyl-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-ylmethyl)-1<i>H</i>-benzoimidazole [ No CAS ]
Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 4677 - 4680
  • 15
  • [ 51169-05-2 ]
  • 8-chloro-4-(2-oxo-propylidene)-1,3,4,5-tetrahydro-benzo[<i>b</i>][1,4]diazepin-2-one [ No CAS ]
  • 6-chloro-2-(5-methyl-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-ylmethyl)-1<i>H</i>-benzoimidazole [ No CAS ]
  • 6-chloro-2-(5-methyl-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-ylmethyl)-1<i>H</i>-benzoimidazole [ No CAS ]
Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 4677 - 4680
  • 16
  • [ 504-02-9 ]
  • [ 4637-24-5 ]
  • [ 51169-05-2 ]
  • 1-pyridin-2-yl-1,5,6,7-tetrahydro-4H-indazol-4-one [ No CAS ]
Reference： [1]Synthesis,2002,p. 1669 - 1674
  • 17
  • [ 51169-05-2 ]
  • 2-isopropylimino-cyclohexane-1,3-dione [ No CAS ]
  • 1-pyridin-2-yl-1,5,6,7-tetrahydro-4H-indazol-4-one [ No CAS ]
Reference： [1]Synthesis,2002,p. 1669 - 1674
  • 18
  • [ 50329-91-4 ]
  • [ 51169-05-2 ]
  • 2-(2-pyridyl)[1]benzopyrano[4,3-c]pyrazol-4(2H)-one [ No CAS ]
Reference： [1]Chemistry of Heterocyclic Compounds,2003,vol. 39,p. 1608 - 1616
  • 19
  • [ 17823-69-7 ]
  • [ 51169-05-2 ]
  • 5-amino-4-carboxamido-3-(methylthio)-1-(pyrid-2-yl)pyrazole [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 5894 - 5911
  • 20
  • [ 648869-31-2 ]
  • [ 326-56-7 ]
  • [ 51169-05-2 ]
  • 3-(5-benzo[1,3]dioxol-5-yl-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl)-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-(5-benzo[1,3]dioxol-5-yl-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl)-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 21
  • [ 648869-33-4 ]
  • [ 326-56-7 ]
  • [ 51169-05-2 ]
  • 3-(5-benzo[1,3]dioxol-5-yl-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl)-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-(5-benzo[1,3]dioxol-5-yl-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl)-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 22
  • [ 648869-31-2 ]
  • [ 2905-65-9 ]
  • [ 51169-05-2 ]
  • 3-[5-(3-chloro-phenyl)-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-[5-(3-chloro-phenyl)-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 23
  • [ 648869-33-4 ]
  • [ 2905-65-9 ]
  • [ 51169-05-2 ]
  • 3-[5-(3-chloro-phenyl)-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-[5-(3-chloro-phenyl)-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 24
  • [ 648869-31-2 ]
  • [ 2459-25-8 ]
  • [ 51169-05-2 ]
  • 3-(5-naphthalen-2-yl-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl)-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • [ 648862-61-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 25
  • [ 648869-33-4 ]
  • [ 2459-25-8 ]
  • [ 51169-05-2 ]
  • 3-(5-naphthalen-2-yl-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl)-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • [ 648862-61-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 26
  • [ 648869-31-2 ]
  • [ 21218-94-0 ]
  • [ 51169-05-2 ]
  • 3-[5-(4-phenoxy-phenyl)-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-[5-(4-phenoxy-phenyl)-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 27
  • [ 648869-33-4 ]
  • [ 21218-94-0 ]
  • [ 51169-05-2 ]
  • 3-[5-(4-phenoxy-phenyl)-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-[5-(4-phenoxy-phenyl)-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 28
  • [ 648869-31-2 ]
  • [ 2905-68-2 ]
  • [ 51169-05-2 ]
  • 3-[5-(3,4-dichloro-phenyl)-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-[5-(3,4-dichloro-phenyl)-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 29
  • [ 648869-33-4 ]
  • [ 2905-68-2 ]
  • [ 51169-05-2 ]
  • 3-[5-(3,4-dichloro-phenyl)-2-pyridin-2-yl-2<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
  • 3-[5-(3,4-dichloro-phenyl)-1-pyridin-2-yl-1<i>H</i>-pyrazol-3-yl]-2-<i>m</i>-tolyl-propionic acid [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80
  • 30
  • [ 17196-74-6 ]
  • [ 51169-05-2 ]
  • [ 58589-70-1 ]
Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 3332 - 3344
  • 31
  • C21H29N3O6 [ No CAS ]
  • [ 51169-05-2 ]
  • [ 855778-29-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; at 0 - 20℃; ()-tert-Butyl 1- {2- (pyridin-2-yl) hydrazinyl}-3- (7-methyl-1 H-indazol-5-yl)-1- oxopropan-2-ylcarbamate; 2- (tert-Butoxycarbonyl)-3- (7-methyl-lH-indazol-5-yl) propanoic acid (0.1 g, 0.31 mmol) and iso-butyl chloroformate (49 uL, 0.37 mmol) were combined in dry tetrahydrofuran (4.0 mL) at 0 C. Triethylamine (0.13 mL, 0.93 mmol) was added to the reaction mixture which was briefly stirred before addition of 2- hydrazinopyridine dihydrochloride salt (58 mg, 0.31 mmol). The reaction mixture was allowed to warm to room temperature overnight. The reaction was concentrated, redissolved in dichloromethane, washed with water (2X), brine (2X), dried over sodium sulfate, and concentrated. Column chromatography afforded 70.0 mg (55%). Mass spec.: 411.07 (MH) +.
Reference： [1]Patent: WO2005/56550,2005,A2 .Location in patent: Page/Page column 158
  • 32
  • [ 851531-65-2 ]
  • [ 51169-05-2 ]
  • C19H15ClN6O4S*ClH [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 809 - 816
  • 33
  • [ 808139-98-2 ]
  • [ 51169-05-2 ]
  • C18H13ClN6O2S*ClH [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 809 - 816
  • 34
  • [ 2094-72-6 ]
  • [ 51169-05-2 ]
  • [ 1029433-07-5 ]
Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 3030 - 3034
  • 35
  • C18H17N2O3Pol [ No CAS ]
  • [ 51169-05-2 ]
  • [ 1221413-00-8 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 1702 - 1705
  • 36
  • C18H16BrN2O3Pol [ No CAS ]
  • [ 51169-05-2 ]
  • [ 1221413-01-9 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 1702 - 1705
  • 37
  • C18H16BrN2O3Pol [ No CAS ]
  • [ 51169-05-2 ]
  • [ 1221413-02-0 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 1702 - 1705
  • 38
  • C19H19N2O4Pol [ No CAS ]
  • [ 51169-05-2 ]
  • [ 1221413-03-1 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 1702 - 1705
  • 39
  • C24H21N2O3Pol [ No CAS ]
  • [ 51169-05-2 ]
  • [ 1221413-04-2 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 1702 - 1705
  • 40
  • C22H24N3O3Pol [ No CAS ]
  • [ 51169-05-2 ]
  • [ 1221413-05-3 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 1702 - 1705
  • 41
  • [ 51169-05-2 ]
  • [ 169544-41-6 ]
  • [ 1291068-10-4 ]
Reference： [1]Journal of Enzyme Inhibition and Medicinal Chemistry,2011,vol. 26,p. 222 - 230
  • 42
  • [ 51169-05-2 ]
  • [ 5305-40-8 ]
  • [ 1429924-51-5 ]
Reference： [1]Organic Letters,2013,vol. 15,p. 1882 - 1885
  • 43
  • ammonium thiocyanate [ No CAS ]
  • [ 366-18-7 ]
  • ferrous perchlorate [ No CAS ]
  • [ 51169-05-2 ]
  • [Fe(2,2'-bipyridyl)(2-hydazinopyridine)(NCS)2]*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
13.8% In ethanol; for 2h;Inert atmosphere; 0.546 g (3.0 mmol) of hzpy, 0.468 g (3.0 mmol) of bipy and0.456 g (6.0 mmol) of NH4SCN were added to 0.764 g (3.0 mmol)Fe(ClO4)2; sequentially with stirring for 2 h in 100ml ethanol underArgon atmosphere. The reaction resulted in deep red precipitatewhich has been filtered off and washed with cold ethanol thendiethyl ether then kept under vacuum (0.18867 g; yield: 13.8%).
Reference： [1]Dyes and Pigments,2013,vol. 99,p. 1056 - 1064
  • 44
  • [ 24424-99-5 ]
  • [ 51169-05-2 ]
  • tert-butyl 2-(pyridin-2-yl)hydrazinecarboxylate [ No CAS ]
Reference： [1]Organic Letters,2013,vol. 15,p. 6078 - 6081
  • 45
  • C13H14N2O5 [ No CAS ]
  • [ 51169-05-2 ]
  • methyl 5-(2-nitrophenyl)-1-(2-pyridyl)-1H-pyrazole-4-carboxylate [ No CAS ]
Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 146 - 161
  • 46
  • [ 924-44-7 ]
  • [ 51169-05-2 ]
  • C9H11N3O2 [ No CAS ]
Reference： [1]Advanced Synthesis and Catalysis,2016,vol. 358,p. 1073 - 1077
  • 47
  • C22H14N4O2 [ No CAS ]
  • [ 51169-05-2 ]
  • 2,8-diphenyl-3,9-bis((2-(pyridin-2-yl)hydrazono)methyl)-diimidazo[1,2-a:1',2'-c]pyrimidine dihydrochloride [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 5706 - 5720
  • 48
  • [ 72460-55-0 ]
  • [ 51169-05-2 ]
  • (2E)-1,1'-dimethyl-3,3'-bis(2-(pyridin-2-yl)hydrazono)-2,2'-biindolinylidene dihydrochloride [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 5706 - 5720
  • 49
  • [ 51169-05-2 ]
  • potassium phenyltrifluoborate [ No CAS ]
  • [ 1008-89-5 ]
Reference： [1]Applied Organometallic Chemistry,2018,vol. 32
  • 50
  • [ 5781-53-3 ]
  • methyl 2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}ethanimidate [ No CAS ]
  • [ 51169-05-2 ]
  • methyl 3-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl} methyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
33% A solution of methyl 2- {3 -(4-chlorophenyl)-5-oxo-4- [(2S)-3 ,3 ,3 -trifluoro-2-hydroxypropyl] -4,5- dihydro-1H-1,2,4-triazol-1-yl}ethanimidate (Example 7A; 1.00 g, 2.64 mmol) in tetrahydrofuran (20 ml) was cooled to 0C and treated with methyl chloro(oxo)acetate (270 jil, 2.9 mmol). The resulting mixture was stirred for 30 mi 2-Hydrazinylpyridine hydrochloride (1:1) (423 mg, 2.90 mmol) and N,N-diisopropylethylamine (1.0 ml, 5.8 mmol) were added, the reaction mixture waswarmed up to room temperature and stirred for 30 mm, followed by 1 h at 120C in a sealed vial under microwave irradiation. The crude product was purified by preparative HPLC (Method 5). Lyophilisation of the product containing fractions afforded 483 mg (33% of th.) of the title compound.LC-MS (Method 3): R = 1.79 mm; MS (ESIpos): mlz = 524 [M+H]1H-NMR (400 MHz, DMSO-d6) [ppm]: 3.820 (0.78), 3.844 (1.02), 3.858 (16.00), 3.880 (1.25),3.990 (1.15), 3.998 (1.28), 4.026 (0.81), 4.035 (0.78), 5.187 (7.66), 6.905 (2.15), 6.921 (2.27),7.564 (1.07), 7.577 (1.17), 7.583 (1.19), 7.595 (1.26), 7.608 (3.70), 7.613 (1.40), 7.625 (1.82),7.629 (4.90), 7.743 (0.97), 7.750 (5.02), 7.755 (1.55), 7.766 (1.45), 7.771 (3.70), 7.815 (1.92),7.835 (2.21), 8.099 (0.94), 8.103 (0.94), 8.118 (1.49), 8.122 (1.54), 8.138 (0.77), 8.142 (0.75),8.527 (1.25), 8.532 (1.40), 8.539 (1.33), 8.544 (1.33).
Reference： [1]Patent: WO2019/81299,2019,A1 .Location in patent: Page/Page column 70
  • 51
  • 6-chloro-5-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)pyridine-3-carbonitrile [ No CAS ]
  • [ 51169-05-2 ]
  • 2-(2-pyridyl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine-5-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% In ethanol; for 2h; General procedure: Method-1 To a solution of pyridine 2 (2.5 mmol, 1.0 equiv.), in ethanol (7.0 mL) added hydrazinehydrate 98% (5.5 mmol, 2.2 equiv.) at 25 C. The solution was heated to 80 C and stirred for 2 h. The reaction was monitored by TLC and LC-MS and after complete conversion the reaction mixture was distilled under reduced pressure. After complete removal of solvent, water (5.0 mL) was added and extracted with ethyl acetate (2 × 8.0 mL). The combined organic layer was washed with water (5.0 mL) followed by brine (5.0 mL), dried over sodium sulfate (anhyd.), filtered andconcentrated under reduced pressure. The crude product was purified by flash chromatography using silica gel with CyHex-EtOAc (8:2) as mobile phase to yield the products 3-5.
Reference： [1]Synlett,2019,vol. 30,p. 1057 - 1060
  • 52
  • [ 51169-05-2 ]
  • [ 2127-03-9 ]
YieldReaction ConditionsOperation in experiment
92% With sulfur; oxygen; sodium hydroxide In water; acetonitrile at 70℃; for 12h; Sealed tube; Schlenk technique; 3 Preparation of 1,2-bis(pyridin-2-yl) disulfide: Add 58.2mg (0.4mmol) of 2-hydrazine pyridine hydrochloride, S8100mg (0.4mmol), 80mg (5eq.) of sodium hydroxide, 1mL of water, and 1mL of acetonitrile to the 25ml Shrek tube.After feeding, add magnets to the Shrek tube, replace the air in the Shrek tube with oxygen and seal the tube. The oxygen pressure is 0.3MPa. Place the sealed Shrek tube in an oil bath at 70°C and heat and stir for 12 hours. After the reaction, the liquid was extracted and separated. After the organic phase was dried, it was distilled under reduced pressure with a rotary evaporator to remove the organic solvent to obtain the crude product. After that, the column chromatography was separated and purified to obtain the target compound 1,2-bis(pyridin-2-yl)disulfide. 40.5mg, the yield was 92%.
Reference： [1]Current Patent Assignee: XINXIANG RUNYU NEW MATERIAL TECH - CN111892469, 2020, A Location in patent: Paragraph 0049-0052

Tags: 51169-05-2 synthesis path| 51169-05-2 SDS| 51169-05-2 COA| 51169-05-2 purity| 51169-05-2 application| 51169-05-2 NMR| 51169-05-2 COA| 51169-05-2 structure

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