[ CAS No. 826-74-4 ] {[proInfo.proName]}

Name: 826-74-4|1-Vinylnaphthalene|98% (stabilized with TBC)
Brand: Ambeed
SKU: A570314
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2D 3D

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Quality Control of [ 826-74-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 826-74-4 ]

Product Details of [ 826-74-4 ]

CAS No. :	826-74-4	MDL No. :	MFCD00075766
Formula :	C₁₂H₁₀	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IGGDKDTUCAWDAN-UHFFFAOYSA-N
M.W :	154.21	Pubchem ID :	70004
Synonyms :

Calculated chemistry of [ 826-74-4 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	54.04
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
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) :	-4.2 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.35
Log Po/w (XLOGP3) :	4.28
Log Po/w (WLOGP) :	3.37
Log Po/w (MLOGP) :	4.75
Log Po/w (SILICOS-IT) :	3.83
Consensus Log Po/w :	3.72

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.04
Solubility :	0.014 mg/ml ; 0.0000905 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.99
Solubility :	0.0157 mg/ml ; 0.000102 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.5
Solubility :	0.00484 mg/ml ; 0.0000314 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.17

Safety of [ 826-74-4 ]

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

Application In Synthesis of [ 826-74-4 ]

* 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.

Upstream synthesis route of [ 826-74-4 ]
Downstream synthetic route of [ 826-74-4 ]

[ 826-74-4 ] Synthesis Path-Upstream 1~1

1
[ 826-74-4 ]
[ 74-95-3 ]
[ 25033-19-6 ]

Reference： [1] Tetrahedron Letters, 2007, vol. 48, # 36, p. 6405 - 6407

[ 826-74-4 ] Synthesis Path-Downstream 1~47

1
[ 56-23-5 ]
[ 128-08-5 ]
[ 1127-76-0 ]
[ 826-74-4 ]

Reference： [1]Journal of the Chemical Society,1946,p. 830

2
[ 826-74-4 ]
[ 4023-65-8 ]
[ 116632-91-8 ]

Reference： [1]Bachmann; Deno [Journal of the American Chemical Society, 1949, vol. 71, p. 3062,3067]

3
[ 826-74-4 ]
[ 626-99-3 ]
2-[1]naphthyl-cyclohex-1-enecarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With acetic acid; hydroquinone at 100℃;

Reference： [1]Bachmann; Deno [Journal of the American Chemical Society, 1949, vol. 71, p. 3062,3067]

4
[ 826-74-4 ]
[ 626-99-3 ]
6-[1]naphthyl-cyclohex-1-enecarboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With propionic acid; hydroquinone

Reference： [1]Bachmann; Deno [Journal of the American Chemical Society, 1949, vol. 71, p. 3062,3067]

5
[ 826-74-4 ]
[ 100900-16-1 ]
[ 122446-36-0 ]

Reference： [1]Teuber; Lindner [Chemische Berichte, 1959, vol. 92, p. 932,937]

6
[ 826-74-4 ]
[ 1127-76-0 ]

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 5732 - 5737
[2]Angewandte Chemie - International Edition,2019,vol. 58,p. 16490 - 16494
Angew. Chem.,2019,vol. 131,p. 16642 - 16646,5
[3]Journal of the American Chemical Society,1948,vol. 70,p. 4026,4030
[4]Zhurnal Obshchei Khimii,1956,vol. 26,p. 3479,3483; engl. Ausg. S. 3871, 3874
[5]ACS Catalysis,2018,vol. 8,p. 9637 - 9646

7
[ 826-74-4 ]
[ 36122-35-7 ]
[ 854232-22-7 ]

Reference： [1]Journal of the American Chemical Society,1951,vol. 73,p. 45,47

8
[ 1127-76-0 ]
[ 826-74-4 ]

Reference： [1]Journal of the Chemical Society,1946,p. 830

9
[ 773-99-9 ]
[ 826-74-4 ]

Yield	Reaction Conditions	Operation in experiment
88%	With fluorosulfonyl fluoride; potassium <i>tert</i>-butylate In dimethyl sulfoxide at 60℃;	2 Example 2 In a 100mL reaction flask, add 1.72g 1-naphthylethanol (10mmol), 50mL dimethylsulfoxide, 5.6g potassium tert-butoxide (50mmol), plug the rubber stopper, stir at 60°C, and pass the sulfuryl fluoride balloon through the long The needle is passed into the reaction solution, and another short needle is inserted into the rubber stopper to make the sulfuryl fluoride in the balloon flow with the air in the reaction system. After 5 minutes, the short needle is pulled out, and the reaction system is reacted in a 60C oil bath. -15 hours. The progress of the reaction was checked by a thin-layer chromatography plate. After the reaction, the reaction solution was extracted with water and dichloromethane (3 X 20 mL). The dichloromethane layer was dried over anhydrous sodium sulfate, filtered, and spin-dried. The residue was applied to a silica gel column. Analytical purification, the eluent is pure petroleum ether, that is, 1-naphthalene ethylene (1.36g, 88%)
	With potassium hydroxide at 215℃;
	With potassium hydroxide at 165℃;

	With potassium hydrogensulfate at 130 - 140℃;
	With tetrachlorophthalic anhydride

Reference： [1]Current Patent Assignee: YANGZHOU POLYTECHNIC INSTITUTE - CN112851456, 2021, A Location in patent: Paragraph 0021-0023
[2]Schorygin; Schorygina [Zhurnal Obshchei Khimii, 1935, vol. 5, p. 555,560][Chemisches Zentralblatt, 1935, vol. 106, # II, p. 3081]
[3]Cohen; Warren [Journal of the Chemical Society, 1937, p. 1315,1319] Sontag [Annales de Chimie (Cachan, France), 1934, vol. <11> 1, p. 359,404] Palfray; Sabetay; Sontag [Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1932, vol. 194, p. 2065] Kutz et al. [Journal of the American Chemical Society, 1948, vol. 70, p. 4026,4030]
[4]Salkind; Soniss [Zhurnal Obshchei Khimii, 1936, vol. 6, p. 988,995][Chemisches Zentralblatt, 1937, vol. 108, # I, p. 1934]
[5]Salkind; Soniss [Zhurnal Obshchei Khimii, 1936, vol. 6, p. 988,995][Chemisches Zentralblatt, 1937, vol. 108, # I, p. 1934]

10
[ 826-74-4 ]
[ 106-51-4 ]
[ 100900-16-1 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic acid at 100℃;

Reference： [1]Bachmann; Deno [Journal of the American Chemical Society, 1949, vol. 71, p. 3062,3067]

11
[ 50-00-0 ]
[ 23277-00-1 ]
[ 826-74-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium ethanolate In ethanol

Reference： [1]Zander,M.; Franke,W. [Chemische Berichte, 1961, vol. 94, p. 446 - 450]

12
[ 108-05-4 ]
[ 99747-74-7 ]
[ 826-74-4 ]
[ 141171-96-2 ]
[ 141171-95-1 ]

Reference： [1]Journal of Organic Chemistry,1992,vol. 57,p. 3558 - 3563
[2]Journal of Organic Chemistry,1992,vol. 57,p. 3558 - 3563

13
[ 41332-02-9 ]
[ 826-74-4 ]

Reference： [1]Synthetic Communications,1989,vol. 19,p. 2677 - 2682

14
[ 1127-76-0 ]
[ 151-50-8 ]
[ 826-74-4 ]
[ 57605-95-5 ]
[ 24168-42-1 ]

Reference： [1]Gazzetta Chimica Italiana,1984,vol. 114,p. 283 - 284

15
[ 826-74-4 ]
(+/-)-2-(p-tolylsulfinyl)-1,4-benzoquinone [ No CAS ]
[ 100900-16-1 ]

Yield	Reaction Conditions	Operation in experiment
80%	In dichloromethane at 20℃; for 18h;

Reference： [1]Carreno, M. Carmen; Mahugo, Jesus; Urbano, Antonio [Tetrahedron Letters, 1997, vol. 38, # 17, p. 3047 - 3050]

16
[ 68480-12-6 ]
selenium [ No CAS ]
[ 826-74-4 ]
[ 1127-76-0 ]

Reference： [1]Zhurnal Obshchei Khimii,1949,vol. 19,p. 332,334
Chem.Abstr.,1949,p. 6609

17
[ 826-74-4 ]
[ 773-99-9 ]
[ 15914-84-8 ]
[ 42177-25-3 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 1-vinylnaphthalene With benzo[1,3,2]dioxaborole In toluene at 20℃; for 2h; Stage #2: With sodium hydroxide; water; dihydrogen peroxide In toluene at 20℃; for 2h; Title compound not separated from byproducts;

Reference： [1]Doucet, Henri; Fernandez, Elena; Layzell, Timothy P.; Brown, John M. [Chemistry - A European Journal, 1999, vol. 5, # 4, p. 1320 - 1330]

18
[ 2554-06-5 ]
[ 90-14-2 ]
[ 826-74-4 ]

Reference： [1]Journal of Organometallic Chemistry,2001,vol. 624,p. 372 - 375

19
[ 90-14-2 ]
[ 4627-10-5 ]
[ 826-74-4 ]

Yield	Reaction Conditions	Operation in experiment
96%	With silver(l) oxide In tetrahydrofuran at 67℃; for 24h;

Reference： [1]Lightfoot, Andrew P.; Twiddle, Steven J. R.; Whiting, Andrew [Synlett, 2005, # 3, p. 529 - 531]

20
[ 2554-06-5 ]
[ 90-11-9 ]
[ 826-74-4 ]
[ 1233-36-9 ]

Reference： [1]Organic Letters,2006,vol. 8,p. 63 - 66

21
[ 2768-02-7 ]
[ 90-11-9 ]
[ 826-74-4 ]

Yield	Reaction Conditions	Operation in experiment
90%	With sodium hydroxide; tetrabutylammomium bromide In water at 120℃; for 24h;
90%	With sodium hydroxide In water for 24h; Heating;
78%	Stage #1: (vinyl)trimethoxylsilane; 1-Bromonaphthalene With (1,2-dimethoxyethane)dichloronickel(II); tetrabutylammonium triphenyldifluorosilicate In N,N-dimethyl acetamide at 35℃; for 12h; Inert atmosphere; Stage #2: In N,N-dimethyl acetamide	General Procedure 2 General procedure: In a nitrogen-filled glove box, aromatic halide (0.2 mmol, 1.0equiv), TBAT (270 mg, 0.5 mmol, 2.5 equiv), NiCl2(glyme) (4.4mg, 0.02 mmol, 10 mol%), and DMA (1.0 mL) were charged to an8 mL vial equipped with a magnetic stirrer bar. The vinyltrimethoxysilane(59.1 mg, 0.4 mmol, 2.0 equiv) was added. The vialwas removed from the glove box, and the reaction mixture wasstirred at rt (35 °C) for 12 h. The reaction mixture was thendiluted with EtOAc and washed with water. The organic phasewas dried over Na2SO4, filtered, and concentrated, and theresidue was purified by column chromatography on silica gel togive the product.

Reference： [1]Alacid, Emilio; Najera, Carmen [Advanced Synthesis and Catalysis, 2006, vol. 348, # 15, p. 2085 - 2091]
[2]Alacid, Emilio; Najera, Carmen [Journal of Organic Chemistry, 2008, vol. 73, # 6, p. 2315 - 2322]
[3]Wei, Shichao; Mao, Yongjun; Shi, Shi-Liang [Synlett, 2021, vol. 32, # 16, p. 1670 - 1674]

22
[ 826-74-4 ]
[ 74-95-3 ]
[ 25033-19-6 ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 6405 - 6407

23
[ 1067-53-4 ]
[ 90-14-2 ]
[ 826-74-4 ]

Reference： [1]Journal of Organic Chemistry,2008,vol. 73,p. 2315 - 2322

24
[ 826-74-4 ]
[ 86-55-5 ]

Yield	Reaction Conditions	Operation in experiment
81%	With tert.-butylhydroperoxide In water at 90℃; for 9h;
57%	Stage #1: 1-vinylnaphthalene With tert.-butylhydroperoxide; iodine; sodium hydroxide In water at 105℃; for 16h; Sealed tube; Stage #2: With hydrogenchloride In water	General experimental procedure for the synthesis of aryl carboxylic acids: General procedure: A sealed tube equipped with a magnetic stirrer bar was charged with substituted styrene 1 (1.0mmol), 70% aq. TBHP solution (10mmol), I2 (0.1mmol) and 1M aq. NaOH solution (0.2mmol). The reaction vessel was stirred at 105°C for 16h. After disappearance of the reactant (monitored by TLC), the reaction mass was cooled to room temperature, quenched with 10% aq. Na2S2O3 (5ml) solution and diluted with saturated NaHCO3 (5ml) solution. The resulting mixture was then extracted with dichloromethane to remove organic impurities. The aqueous layer was then acidified with ice cooled 2M HCl until the reaction mixture was strongly acidic by pH paper. This on simple filtration and washing with ice cooled water resulted in pure benzoic acids 2a-2p.
	With 1,2-dibutoxyethane; oxygen at 110℃; for 12h;

Reference： [1]Ranu, Brindaban C.; Bhadra, Sukalyan; Adak, Laksmikanta [Tetrahedron Letters, 2008, vol. 49, # 16, p. 2588 - 2591]
[2]Patil, Bhausaheb N.; Sathe, Pratima A.; Parade, Babasao S.; Vadagaonkar, Kamlesh S.; Chaskar, Atul C. [Tetrahedron Letters, 2018, vol. 59, # 49, p. 4340 - 4343]
[3]Ou, Jinhua; Tan, Hong; He, Saiyu; Wang, Wei; Hu, Bonian; Yu, Gang; Liu, Kaijian [Journal of Organic Chemistry, 2021, vol. 86, # 21, p. 14974 - 14982]

25
[ 826-74-4 ]
[ 586-61-8 ]
[ 1087094-02-7 ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium acetate;trans-di(mu-acetato)bis[o-(di-o-tolyl-phosphino)benzyl]dipalladium(II); In N,N-dimethyl-formamide; at 120℃; for 60h;	Example 1This example illustrates the preparation of Compound E1 , 3-iso- propyl-N6,N6,N12,N12-tetrakis(3,4-dimethylphenyl)-chrysene-6,12-diamine <n="24"/>a. Preparation of (Z)-1 -(4-/so-propylstyryl)naphthalene.In a drybox, 1-vinylnaphthalene (9.80 g, 63.5 mmol) and 4- bromocumene (11.5 g, 57.8 mmol) were placed into a 250 ml RB flask and dissolved in 80 ml of dry DMF. Palladium catalyst (frans-di(mu- acetato)bis[o-(di-o-tolylphosphino)benzyl] dipalladium (II), 0.542 g, 0.58 mmol) and sodium acetate (7.11 g, 86.6 mmol) were added last, followed by 20 ml of dry DMF. The flask was capped, taken out of the box and attached to a condenser flushed with nitrogen. The reaction mixture was stirred at 120 0C for 60 hours. Solution was cooled to room temperature and poured into 750 ml of water. Aqueous layer was extracted with CH2Cb (3x500 ml). Combined organic layers were rinsed with water and brine (500 ml each), dried over MgSO4 and volatiles were removed under vacuum. Crude product was adsorbed onto 25 g of silica, loaded onto a 4" column and eluted with hexane first, then with 20percent CH2CI2 in hexane. The first fraction was concentrated and residue was dried under high vacuum to 6.3 g (40 percent) of the desired product. 1H NMR is analogous to the one reported in the literature (Beckmann et al., Solid St. Nuc. Mag. Res., 1998, 12, 251 ).

Reference： [1]Patent: WO2008/147721,2008,A1 .Location in patent: Page/Page column 22-23

26
[ 826-74-4 ]
[ 1593-60-8 ]
[ 1377813-99-4 ]

Reference： [1]European Journal of Organic Chemistry,2012,p. 2711 - 2714

27
[ 826-74-4 ]
[ 2483-57-0 ]
methyl (1S,2R)-2-(1-naphthyl)-1-nitrocyclopropanecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	With silver hexafluoroantimonate; iodosylbenzene; sodium carbonate; C25H30N2O2; copper(l) chloride; In benzene; at 20℃; for 3h;Inert atmosphere; Molecular sieve;	General procedure: CuCl (1.0 mg, 0.01 mmol, 2 mol %), AgSbF6 (4.1 mg, 0.012 mmol, 2.4 mol %), and bis(oxazoline) 2 (0.012 mmol, 2.4 mol %) were weighed in the glove box and charged together in a flask. After removal from glove box, the vial was capped and benzene (5 mL) was added. The solution was stirred for 1 h at room temperature, after which styrene (2.5 mmol, 5.0 equiv) was added to the catalyst solution. In a separate vial, PhIO (121 mg, 0.55 mmol, 1.10 equiv), Na2CO3 (122 mg, 1.15 mmol, 2.30 equiv), and molecular sieves (approx. 100 mg) were charged in a vial and purged under argon for 10 min. The solids were then quickly transferred to the catalyst solution, followed by <strong>[2483-57-0]methyl nitroacetate</strong> (1) (59.5 mg, 0.50 mmol). The solution was stirred at room temperature for 3 h. The reaction was quenched with water (5 mL) and organic layer was extracted with ethyl acetate (2×10 mL). The combined organic layers were dried over Na2SO4, filtered, and concentrated under reduced pressure. The crude oil residue was purified by flash column chromatography to give the pure 1-nitrocyclopropyl carboxylate 3.

Reference： [1]Tetrahedron,2012,vol. 68,p. 3487 - 3496

28
[ 826-74-4 ]
[ 2483-57-0 ]
methyl (1S,2R)-2-(1-naphthyl)-1-nitrocyclopropanecarboxylate [ No CAS ]
C₁₅H₁₃NO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%	With silver hexafluoroantimonate; iodosylbenzene; sodium carbonate; (S,S)-2,2'-isopropylidenebis(4-phenyl-2-oxazoline); copper(l) chloride; In benzene; at 20℃; for 3h;Inert atmosphere; Molecular sieve;	General procedure: CuCl (1.0 mg, 0.01 mmol, 2 mol %), AgSbF6 (4.1 mg, 0.012 mmol, 2.4 mol %), and bis(oxazoline) 2 (0.012 mmol, 2.4 mol %) were weighed in the glove box and charged together in a flask. After removal from glove box, the vial was capped and benzene (5 mL) was added. The solution was stirred for 1 h at room temperature, after which styrene (2.5 mmol, 5.0 equiv) was added to the catalyst solution. In a separate vial, PhIO (121 mg, 0.55 mmol, 1.10 equiv), Na2CO3 (122 mg, 1.15 mmol, 2.30 equiv), and molecular sieves (approx. 100 mg) were charged in a vial and purged under argon for 10 min. The solids were then quickly transferred to the catalyst solution, followed by <strong>[2483-57-0]methyl nitroacetate</strong> (1) (59.5 mg, 0.50 mmol). The solution was stirred at room temperature for 3 h. The reaction was quenched with water (5 mL) and organic layer was extracted with ethyl acetate (2×10 mL). The combined organic layers were dried over Na2SO4, filtered, and concentrated under reduced pressure. The crude oil residue was purified by flash column chromatography to give the pure 1-nitrocyclopropyl carboxylate 3.

Reference： [1]Tetrahedron,2012,vol. 68,p. 3487 - 3496

29
[ 826-74-4 ]
[ 1127-76-0 ]
[ 19950-47-1 ]

Reference： [1]Chemistry - A European Journal,2012,vol. 18,p. 9391 - 9396

30
[ 826-74-4 ]
[ 491-30-5 ]
C₂₁H₁₅NO [ No CAS ]

Reference： [1]Organic Letters,2012,vol. 14,p. 4166 - 4169

31
[ 826-74-4 ]
[ 7160-01-2 ]
N,N,5-trimethyl-2-(naphthalen-1-yl)indoline-1-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	With palladium diacetate; toluene-4-sulfonic acid; p-benzoquinone In 1,4-dioxane at 25℃; for 16h; Inert atmosphere;

Reference： [1]Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan [Organic Letters, 2015, vol. 17, # 3, p. 672 - 675]

32
[ 826-74-4 ]
[ 1864-94-4 ]
1-naphthylmethyl phenylacetate [ No CAS ]

Reference： [1]Organic Letters,2015,vol. 17,p. 3544 - 3547

33
[ 826-74-4 ]
[ 1864-94-4 ]
C₁₉H₁₆O₂ [ No CAS ]

Reference： [1]Organic Letters,2015,vol. 17,p. 3544 - 3547

34
[ 826-74-4 ]
[ 6919-61-5 ]
(E)-N-methyl-2-(2-(naphthalene-1-yl)vinyl)benzamide [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2015,vol. 10,p. 1505 - 1512

35
[ 826-74-4 ]
[ 52898-49-4 ]
(E)-4-methoxy-N-methyl-2-(2-(naphthalene-1-yl)vinyl)benzamide [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2015,vol. 10,p. 1505 - 1512

36
[ 826-74-4 ]
N,N-dimethyl-4-((((3-(3-(trifluoromethyl)phenyl)propyl)amino)oxy)carbonyl)aniline [ No CAS ]
(S)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-trifluoromethylphenyl)propan-1-amine [ No CAS ]
[ 226256-56-0 ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 9716 - 9721

37
[ 826-74-4 ]
[ 373-88-6 ]
trans-1-(1-naphthyl)-2-(trifluoromethyl)cyclopropane [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 5293 - 5296

38
[ 826-74-4 ]
[ 373-88-6 ]
1-(2-(trifluoromethyl)cyclopropyl)naphthalene [ No CAS ]
1-(2-(trifluoromethyl)cyclopropyl)naphthalene [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 5293 - 5296

39
[ 826-74-4 ]
[ 373-88-6 ]
1-(2-(trifluoromethyl)cyclopropyl)naphthalene [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 5293 - 5296

40
[ 175676-42-3 ]
[ 826-74-4 ]
1-(2-azido-1-(trifluoromethoxy)ethyl)naphthalene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; silver fluoride; 1-azido-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine In acetonitrile at 10℃; for 4h; Inert atmosphere; Glovebox; Sealed tube; Irradiation;
55%	With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; silver fluoride; 1-azido-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine In acetonitrile at 20℃; for 4h; Inert atmosphere; Sealed tube; Irradiation;	73 Example 6 1-(2-azido-1-(trifluoromethoxy)ethyl)-2,4,6-trimethylbenzene (4a) General procedure: Under the protection of N2, Ru(bpy)3(PF6)2 (2.4 mg, 0.00300 mmol, 1.0 mol%), AgF (19.2 mg, 0.150 mmol, 50.0 mol%) was added to the sealed tube. 4,4',4"-tri-tert-butyl-2,2':6',2"-terpyridine (tbtpy, 36.0 mg, 0.0900 mmol, 30.0 mol%),1-azido-1,3 benzo[d][1,2]iodohydroxy-3(1H)-one (3) (173.4 mg, 0.600 mmol, 2.00 eq.), then acetonitrile solvent (2.40 mL) ,4-phenylstyrene (1a) (43.9 mg, 0.300 mmol, 1.00 equiv), trifluoromethyl 4-methylbenzenesulfonate (2) (169 μL, 0.9 mmol, 3.00 equiv) was added to the reaction. The resulting mixture was then allowed to stand at room temperature and stirred under irradiation with a 14 W blue LED for 4 hours.After that, the reaction mixture was concentrated in vacuo and purified by silica gel chromatography.Elution with petroleum ether / ethyl acetate 100:1 (v / v) gave the corresponding product (4a), 65.5mg.

Reference： [1]Cong, Fei; Wei, Yongliang; Tang, Pingping [Chemical Communications, 2018, vol. 54, # 35, p. 4473 - 4476]
[2]Current Patent Assignee: NANKAI UNIVERSITY - CN108129348, 2018, A Location in patent: Paragraph 0113; 0114; 0116; 0118; 0119; 0121; 0122; 0147

41
[ 826-74-4 ]
[ 23665-09-0 ]
[ 166953-64-6 ]
benzyl 4-(2-(naphthalen-1-yl)-2-phenylethyl)piperidine-1-carboxylate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2018,vol. 140,p. 9801 - 9805

42
[ 826-74-4 ]
[ 558-17-8 ]
[ 254454-47-2 ]
[ 2241691-25-6 ]

Yield	Reaction Conditions	Operation in experiment
25%	With bis(triphenylphosphine)nickel(II) chloride In 1-methyl-pyrrolidin-2-one at 20℃; for 6h; Glovebox; Inert atmosphere; Sealed tube; regioselective reaction;

Reference： [1]Kc, Shekhar; Dhungana, Roshan K.; Shrestha, Bijay; Thapa, Surendra; Khanal, Namrata; Basnet, Prakash; Lebrun, Robert W.; Giri, Ramesh [Journal of the American Chemical Society, 2018, vol. 140, # 31, p. 9801 - 9805]

43
[ 826-74-4 ]
[ 6971-74-0 ]
(E)-N-Ts-3-(naphthalen-1-ylmethylene)isoindolin-1-one [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 7869 - 7874

44
[ 826-74-4 ]
[ 3164-13-4 ]
[ 16143-22-9 ]

Yield	Reaction Conditions	Operation in experiment
79%	With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); at 55 - 70℃; for 16h;Ionic liquid; Inert atmosphere;	General procedure: An oven-dried RB flask equipped with magnetic stirrer bar was charged with the IL solvent (5-7 mL), and (p-bromophenyl)-benzoxazole or benzothiazole (1.1 mmol). After stirring at r.t. under nitrogen atmosphere for 15-20 minutes, the aryl-ethene (1 mmol), Pd(OAc)2 or NiCl2(dppp) (10 mol%), along with the piperidine-appended-IL [PAIM][NTf2] (2 mmol) were introduced, and the reaction mixture was heated gently under stirring at 55-70C while monitoring by TLC. Upon completion, the reaction mixture was cooled to r.t. and the products were extracted 4 times with hexane/ethyl acetate (80:20). The solvent was removed under vacuum and the crude product was chromatographed with hexane/ethylacetate (70:30) mixture to afford pure compounds.

Reference： [1]Tetrahedron Letters,2020,vol. 61

45
[ 826-74-4 ]
[ 19654-19-4 ]
[ 16178-34-0 ]

Yield	Reaction Conditions	Operation in experiment
80%	With palladium diacetate at 55 - 70℃; for 17h; Ionic liquid; Inert atmosphere;	General procedure for the Heck coupling reaction General procedure: An oven-dried RB flask equipped with magnetic stirrer bar was charged with the IL solvent (5-7 mL), and (p-bromophenyl)-benzoxazole or benzothiazole (1.1 mmol). After stirring at r.t. under nitrogen atmosphere for 15-20 minutes, the aryl-ethene (1 mmol), Pd(OAc)2 or NiCl2(dppp) (10 mol%), along with the piperidine-appended-IL [PAIM][NTf2] (2 mmol) were introduced, and the reaction mixture was heated gently under stirring at 55-70°C while monitoring by TLC. Upon completion, the reaction mixture was cooled to r.t. and the products were extracted 4 times with hexane/ethyl acetate (80:20). The solvent was removed under vacuum and the crude product was chromatographed with hexane/ethylacetate (70:30) mixture to afford pure compounds.

Reference： [1]Malunavar, Shruti S.; Sutar, Suraj M.; Savanur, Hemantkumar M.; Kalkhambkar, Rajesh G.; Laali, Kenneth K. [Tetrahedron Letters, 2020, vol. 61, # 6]

46
[ 826-74-4 ]
[ 1484-12-4 ]
C₃₇H₃₁N [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	Stage #1: N-methylcarbazole With iron(III) trifluoromethanesulfonate In dichloromethane at 20℃; for 0.0833333h; Schlenk technique; Stage #2: 1-vinylnaphthalene In dichloromethane at 20℃; Schlenk technique;

Reference： [1]Chen, Peng; Jiang, Yi-Jun; Ma, Feng; Miao, Le-Wei; Wu, Xian-Tao; Xiao, En-Kai [Chemical Communications, 2021, vol. 57, # 58, p. 7148 - 7151]

47
[ 826-74-4 ]
[ 186204-66-0 ]
[ 100-52-7 ]
4,4-difluoro-2-(naphthalen-1-yl)-1-phenylbutan-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
77%	With 3-(2,6-diisopropylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-κN1,κN1′]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC]iridium hexafluorophosphate; anhydrous sodium carbonate In dimethyl sulfoxide at 25℃; for 5h; Schlenk technique; Glovebox; Irradiation; Sealed tube;

Reference： [1]Wang, Jian; Zhang, Bei [Organic Letters, 2022, vol. 24, # 20, p. 3721 - 3725]

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H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
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H320	Causes eye irritation
H330	Fatal if inhaled
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Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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. 826-74-4 ] {[proInfo.proName]}

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[ 826-74-4 ] Synthesis Path-Upstream 1~1

[ 826-74-4 ] Synthesis Path-Downstream 1~47

Related Functional Groups of [ 826-74-4 ]

Aryls

Alkenes

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[ 826-74-4 ]