[ CAS No. 1314883-11-8 ] {[proInfo.proName]}

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Quality Control of [ 1314883-11-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1314883-11-8 ]

SDS Specification

Alternatived Products of [ 1314883-11-8 ]

Product Details of [ 1314883-11-8 ]

CAS No. :	1314883-11-8	MDL No. :	MFCD28502126
Formula :	C₁₈H₁₄F₃N₃O₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RTJQABCNNLMCJF-UHFFFAOYSA-N
M.W :	393.38	Pubchem ID :	53311393
Synonyms :		Chemical Name :	5-(4-(Methylsulfonyl)phenyl)-6'-(trifluoromethyl)-[3,3'-bipyridin]-2-amine

Safety of [ 1314883-11-8 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330	UN#:
Hazard Statements:	H302-H315-H319	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1314883-11-8 ]

* 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 [ 1314883-11-8 ]

[ 1314883-11-8 ] Synthesis Path-Downstream 1~17

2
5-bromo-6'-(trifluoromethyl)-3,3'-bipyridin-2-amine [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 24 h / 60 °C / Inert atmosphere 2: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 16 h / 110 °C / Inert atmosphere

Reference： [1]Sonopo, Molahlehi S.; Pillay, Adushan; Chibale, Kelly; Marjanovic-Painter, Biljana; Donini, Cristina; Zeevaart, Jan R. [Journal of labelled compounds and radiopharmaceuticals, 2016, vol. 59, # 14, p. 680 - 688]

3
[ 3466-32-8 ]
3-(6-(trifluoromethyl)pyridin-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
90%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 110℃; for 16h; Inert atmosphere;

4
[ 106-53-6 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: triethylamine / acetonitrile / 12 h / 20 °C 2: Oxone / methanol; water / 5 h / 5 - 20 °C 3: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 16 h / 110 °C / Inert atmosphere

5
[ 104-95-0 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: Oxone / methanol; water / 5 h / 5 - 20 °C 2: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 16 h / 110 °C / Inert atmosphere

6
[ 1072-97-5 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: iodine / N,N-dimethyl-formamide / 16 h / 25 - 100 °C 2: bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / water; 1,4-dioxane / 14 h / 90 °C / Inert atmosphere 3: sodium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 24 h / 60 °C / Inert atmosphere 4: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 16 h / 110 °C / Inert atmosphere

7
[ 381233-96-1 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / water; 1,4-dioxane / 14 h / 90 °C / Inert atmosphere 2: sodium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 24 h / 60 °C / Inert atmosphere 3: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 16 h / 110 °C / Inert atmosphere

8
[ 624-28-2 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: copper(l) iodide / N,N-dimethyl-formamide / 16 h / 100 °C / Inert atmosphere 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper(l) iodide; potassium fluoride; Trimethyl borate; 1,10-Phenanthroline / dimethyl sulfoxide / 20 h / 60 °C 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper / N,N-dimethyl-formamide / 16 h / 120 °C / Sealed tube 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube

9
[ 436799-32-5 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 2: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 3: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 4: ammonium hydroxide / 16 h / 100 °C / Sealed tube

10
ethyl 5-chloro-2-(trifluoromethyl)nicotinate [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: lithium chloride / 1-methyl-pyrrolidin-2-one / 200 °C 2: tetrabutyl ammonium fluoride; potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride; potassium fluoride / dimethyl sulfoxide / 36 h / 100 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube

11
[ 90536-66-6 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: trichlorophosphate / 80 °C 2: hexafluorophosphoric acid; sodium hydroxide / water / 4 h / 0 °C 3: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 4: ammonium hydroxide / 16 h / 100 °C / Sealed tube

12
[ 349-94-0 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: tetrabutyl ammonium fluoride; potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride; potassium fluoride / dimethyl sulfoxide / 36 h / 100 °C / Inert atmosphere 2: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 3: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 4: ammonium hydroxide / 16 h / 100 °C / Sealed tube

13
C₁₄H₂₁N₂O₂S⁽¹⁺⁾*Cl^(1-) [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: hexafluorophosphoric acid; sodium hydroxide / water / 4 h / 0 °C 2: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 3: ammonium hydroxide / 16 h / 100 °C / Sealed tube

14
tert-butyl 2-cyano-2-(6-(trifluoromethyl)pyridin-3-yl)acetate [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 2: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 3: ammonium hydroxide / 16 h / 100 °C / Sealed tube

15
2-(6-(trifluoromethyl)pyridin-3-yl)acetonitrile [ No CAS ]
(E)-N-(3-(dimethylamino)-2-(4-(methylsulfonyl)phenyl)allylidene)-N-methylmethanaminium hexafluorophosphate [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 2: ammonium hydroxide / 16 h / 100 °C / Sealed tube

16
(2Z,4Z)-5-(dimethylamino)-4-(4-(methylsulfonyl)phenyl)-2-(6-(trifluoromethyl)pyridin-3-yl)penta-2,4-dienenitrile [ No CAS ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
83%	With ammonium hydroxide at 100℃; for 16h; Sealed tube;

17
[ 223463-13-6 ]
[ 1314883-11-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: copper(l) iodide / 1-methyl-pyrrolidin-2-one / 16 h / 80 °C / Inert atmosphere 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper(l) iodide; potassium fluoride / N,N-dimethyl-formamide / 16 h / 120 °C 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper(l) iodide; potassium fluoride; Trimethyl borate; 1,10-Phenanthroline / dimethyl sulfoxide / 16 h / 60 °C 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube

	Multi-step reaction with 5 steps 1: copper(l) iodide; 1,10-Phenanthroline / dimethyl sulfoxide / 16 h / 60 °C 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper; silver(l) oxide / 1-methyl-pyrrolidin-2-one / 16 h / 150 °C 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper; silver(l) oxide / 1-methyl-pyrrolidin-2-one / 16 h / 150 °C 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube
	Multi-step reaction with 5 steps 1: copper / N,N-dimethyl-formamide / 16 h / 120 °C / Sealed tube 2: copper(l) iodide; caesium carbonate / dimethyl sulfoxide / 40 h / 110 °C / Inert atmosphere 3: sodium chloride / dimethyl sulfoxide; water / 16 h / 100 °C 4: potassium <i>tert</i>-butylate / tetrahydrofuran / 2.16 h / 0 - 20 °C 5: ammonium hydroxide / 16 h / 100 °C / Sealed tube

Reference： [1]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]
[2]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]
[3]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]
[4]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]
[5]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]
[6]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]
[7]Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan; Ahmad, Saeed; Snead, David R. [Organic Letters, 2021, vol. 23, # 14, p. 5400 - 5404]

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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 1314883-11-8 ] {[proInfo.proName]}

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[ 1314883-11-8 ] Synthesis Path-Downstream 1~17

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