[ CAS No. 2489-86-3 ] {[proInfo.proName]}

Name: 2489-86-3|1-Allylnaphthalene|97%
Brand: Ambeed
SKU: A241419
Rating: 96 (32 reviews)

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3d Animation Molecule Structure of 2489-86-3

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Quality Control of [ 2489-86-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 2489-86-3 ]

Product Details of [ 2489-86-3 ]

CAS No. :	2489-86-3	MDL No. :	MFCD00021581
Formula :	C₁₃H₁₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RJFCFNWLPJRCLR-UHFFFAOYSA-N
M.W :	168.23	Pubchem ID :	17217
Synonyms :

Calculated chemistry of [ 2489-86-3 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.08
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	58.05
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 :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.51
Log Po/w (XLOGP3) :	4.67
Log Po/w (WLOGP) :	3.57
Log Po/w (MLOGP) :	5.02
Log Po/w (SILICOS-IT) :	4.16
Consensus Log Po/w :	3.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.26
Solubility :	0.00919 mg/ml ; 0.0000547 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.4
Solubility :	0.00674 mg/ml ; 0.0000401 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.92
Solubility :	0.00204 mg/ml ; 0.0000121 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.37

Safety of [ 2489-86-3 ]

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 [ 2489-86-3 ]

* 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 [ 2489-86-3 ]

[ 2489-86-3 ] Synthesis Path-Downstream 1~88

1
[ 2489-86-3 ]
[ 532-31-0 ]
1,2-bis-benzoyloxy-3-[1]naphthyl-propane [ No CAS ]

Reference： [1]Acta Chemica Scandinavica (1947),1950,vol. 4,p. 692,699

2
[ 2489-86-3 ]
[ 86-87-3 ]
[ 120727-51-7 ]

Reference： [1]Journal of the American Chemical Society,1933,vol. 55,p. 2974

3
[ 2489-86-3 ]
[ 37489-99-9 ]

Reference： [1]Chemische Berichte,1951,vol. 84,p. 458,460

4
[ 2489-86-3 ]
[ 22767-77-7 ]

Reference： [1]Journal of the American Chemical Society,1938,vol. 60,p. 1658,1663
[2]Zhurnal Obshchei Khimii,1940,vol. 10,p. 913,915
Chemisches Zentralblatt,1940,vol. 111,p. 3025
[3]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1908,vol. 147,p. 679

5
[ 2489-86-3 ]
[ 217-37-8 ]

Reference： [1]Patent: US2349781,1941,

6
[ 2489-86-3 ]
[ 2765-18-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20℃; under 760.051 Torr; for 12h;	A mixture of <strong>[2489-86-3]1-allylnaphthalene</strong> (16, 33.65 g, 0.2 mol) and 10% Pd/C (1.70 g) was subjected to standard hydrogenation condition at room temperature and atmospheric pressure(balloon). The reaction typically took 12 h to complete. On completion, the reaction mixture was filtered off and the filtrate was evaporated on a rotary evaporator to give a residue, which was purified by column chromatography to yield 2c as a colorless oil (32.69 g, 96%). 1H NMR (DMSO-d6, 400 MHz) : 8.04 (d, 1H, J = 8.0 Hz), 7.87-7.90 (m, 1H),7.74 (d, 1H, J = 8.0 Hz), 7.46-7.53 (m, 2H), 7.40 (t, 1H, J =7.6 Hz), 7.31 (d, 1H, J = 6.8 Hz), 2.98 (t, 2H, J = 7.6 Hz),1.62-1.72 (m, 2H), 0.94 (t, 3H, J = 7.4 Hz). The 1H NMRdata were in good agreement with those reported [20].

Reference： [1]Medicinal Chemistry,2017,vol. 13,p. 260 - 281
[2]Zhurnal Obshchei Khimii,1940,vol. 10,p. 913,915
Chemisches Zentralblatt,1940,vol. 111,p. 3025
[3]Chemische Berichte,1949,vol. 82,p. 161,170
[4]Journal of the Institute of Petroleum,1948,vol. 34,p. 677,680
Chem.Abstr.,1949,p. 2608
[5]Journal of Organic Chemistry,1963,vol. 28,p. 2044 - 2049

7
[ 2489-86-3 ]
[ 27653-17-4 ]

Reference： [1]Journal of the American Chemical Society,1943,vol. 65,p. 1329,1331

8
[ 2489-86-3 ]
[ 120727-51-7 ]

Reference： [1]Acta Chemica Scandinavica (1947),1950,vol. 4,p. 703,706

9
[ 2489-86-3 ]
1-(2,3-dibromopropyl)naphthalene [ No CAS ]

Reference： [1]Organic Letters,2015,vol. 17,p. 2594 - 2597
[2]Zhurnal Obshchei Khimii,1940,vol. 10,p. 913,915
Chemisches Zentralblatt,1940,vol. 111,p. 3025
[3]Organic and Biomolecular Chemistry,2018,vol. 16,p. 9354 - 9358

10
[ 106-95-6 ]
[ 703-55-9 ]
[ 2489-86-3 ]

Reference： [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1908,vol. 147,p. 678
[2]Journal of Fluorine Chemistry,2006,vol. 127,p. 720 - 729

11
[ 107-05-1 ]
[ 703-55-9 ]
[ 2489-86-3 ]

Reference： [1]Zhurnal Obshchei Khimii,1940,vol. 10,p. 913,915
Chemisches Zentralblatt,1940,vol. 111,p. 3025

12
[ 90-11-9 ]
[ 106-95-6 ]
[ 2489-86-3 ]

Reference： [1]Angewandte Chemie - International Edition,2000,vol. 39,p. 2481 - 2483
[2]Chemical Communications,2018,vol. 54,p. 1877 - 1880
[3]Journal of Medicinal Chemistry,1991,vol. 34,p. 2638 - 2643
[4]Bulletin of the Chemical Society of Japan,1979,vol. 52,p. 3632 - 3637
[5]Journal of Organic Chemistry,1963,vol. 28,p. 2044 - 2049
[6]Journal of the American Chemical Society,2008,vol. 130,p. 12901 - 12903
[7]Chemical Communications,2017,vol. 54,p. 66 - 69

13
[ 776-76-1 ]
[ 2489-86-3 ]
[ 22767-77-7 ]
[ 78431-70-6 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1981,vol. 30,p. 318 - 321
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1981,p. 401 - 404

14
[ 2489-86-3 ]
[ 1001-48-5 ]
[ 78431-71-7 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1981,vol. 30,p. 318 - 321
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1981,p. 401 - 404

15
[ 2489-86-3 ]
[ 68884-32-2 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 2638 - 2643
[2]Organic Letters,2015,vol. 17,p. 3346 - 3349

16
[ 91-20-3 ]
[ 106-42-3 ]
[ 107-18-6 ]
[ 2489-86-3 ]
[ 42918-26-3 ]
[ 2489-87-4 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1982,vol. 18,p. 305 - 307
Zhurnal Organicheskoi Khimii,1982,vol. 18,p. 352 - 355

17
[ 112176-15-5 ]
[ 106-95-6 ]
[ 2489-86-3 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1987,vol. 36,p. 350 - 355
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1987,p. 391 - 396

18
[ 2489-86-3 ]
[ 106-95-6 ]
[ 63779-65-7 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 4417 - 4424

19
[ 2489-86-3 ]
[ 106-95-6 ]
[ 63779-62-4 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 4417 - 4424

20
[ 2489-86-3 ]
3-(1-naphthyl)-2-chloropropylphosphonic dichloride [ No CAS ]

Reference： [1]Russian Journal of General Chemistry,1995,vol. 65,p. 356 - 360
Zhurnal Obshchei Khimii,1995,vol. 65,p. 406 - 411

21
[ 2489-86-3 ]
[ 31125-58-3 ]
[ 184166-24-3 ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 8604 - 8609

22
[ 90-14-2 ]
Allyl-tris-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-stannane [ No CAS ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5583 - 5587

23
[ 90-14-2 ]
[ 106-95-6 ]
[ 2489-86-3 ]

Reference： [1]Angewandte Chemie - International Edition,2000,vol. 39,p. 2481 - 2483
[2]Organic Letters,2001,vol. 3,p. 3201 - 3204
[3]Chemistry - An Asian Journal,2011,vol. 6,p. 2147 - 2157
[4]Organic Letters,2005,vol. 7,p. 4745 - 4747
[5]Angewandte Chemie - International Edition,1998,vol. 37,p. 1701 - 1703

24
polyethylene [ No CAS ]
[ 644-08-6 ]
[ 2489-86-3 ]
[ 83-32-9 ]
[ 208-96-8 ]

Reference： [1]Chemosphere,1999,vol. 39,p. 1497 - 1512

26
[ 2489-86-3 ]
aluminium oxide [ No CAS ]
[ 22767-77-7 ]

Reference： [1]Journal of the American Chemical Society,1938,vol. 60,p. 1658,1663
[2]Zhurnal Obshchei Khimii,1940,vol. 10,p. 913,915
Chemisches Zentralblatt,1940,vol. 111,p. 3025

Yield	Reaction Conditions	Operation in experiment
		Illustrative examples of terminal olefins, i.e., compounds of formula II, which can be fluorinated by this method include: 1-allylnaphthalene 2-allylthiophene 3-allylthiophene vinylcyclododecane 2-allyltetrahydrofuran ...

28
[ 64-17-5 ]
[ 2489-86-3 ]
[ 127-09-3 ]
KMnO₄ [ No CAS ]
[ 86-87-3 ]
[ 120727-51-7 ]

Reference： [1]Journal of the American Chemical Society,1933,vol. 55,p. 2974,2977

29
[ 2489-86-3 ]
iron-copper catalyst [ No CAS ]
[ 91-20-3 ]
[ 217-37-8 ]
[ 90-12-0 ]

Reference： [1]Patent: US2349781,1941,

30
[ 90-11-9 ]
[ 106-95-6 ]
tri-n-butyllithium magnesate complex [ No CAS ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 4333 - 4339

31
[ 90-14-2 ]
[ 106-95-6 ]
tri-n-butyllithium magnesate complex [ No CAS ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 4333 - 4339

32
[ 556-56-9 ]
[ 90-11-9 ]
[ 2489-86-3 ]

Reference： [1]Organic Letters,2001,vol. 3,p. 3201 - 3204
[2]Chemistry - An Asian Journal,2011,vol. 6,p. 2147 - 2157

33
[ 556-56-9 ]
[ 90-14-2 ]
[ 2489-86-3 ]

Reference： [1]Organic Letters,2001,vol. 3,p. 3201 - 3204
[2]Chemistry - An Asian Journal,2011,vol. 6,p. 2147 - 2157

34
[ 2489-86-3 ]
1-(3-deuteriopropyl)naphthalene [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 292 - 296

35
[ 556-56-9 ]
[ 99747-74-7 ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,2002,vol. 67,p. 8265 - 8268
[2]Chemistry - An Asian Journal,2011,vol. 6,p. 2147 - 2157

36
[ 96-05-9 ]
[ 90-11-9 ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,2003,vol. 68,p. 1142 - 1145

37
[ 90-11-9 ]
C₁₀H₂₀AlNO [ No CAS ]
[ 2489-86-3 ]

Reference： [1]Synlett,2003,p. 1783 - 1788

38
[ 591-87-7 ]
[ 90-11-9 ]
[ 2489-86-3 ]

Reference： [1]Advanced Synthesis and Catalysis,2004,vol. 346,p. 1641 - 1645
[2]Chemistry - A European Journal,2007,vol. 13,p. 5197 - 5206

39
[ 591-87-7 ]
[ 90-14-2 ]
[ 2489-86-3 ]

Reference： [1]Advanced Synthesis and Catalysis,2004,vol. 346,p. 1641 - 1645
[2]Chemistry - A European Journal,2007,vol. 13,p. 5197 - 5206
[3]Organic Letters,2005,vol. 7,p. 4745 - 4747

40
[ 591-87-7 ]
[ 99747-74-7 ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,2008,vol. 73,p. 1165 - 1168
[2]Advanced Synthesis and Catalysis,2004,vol. 346,p. 1641 - 1645
[3]Chemistry - A European Journal,2007,vol. 13,p. 5197 - 5206

41
[ 13922-41-3 ]
[ 107-18-6 ]
[ 2489-86-3 ]

Reference： [1]Organic and Biomolecular Chemistry,2008,vol. 6,p. 3005 - 3013
[2]Chemical Communications,2004,p. 1200 - 1201

42
high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg [ No CAS ]
[ 2489-86-3 ]

Reference： [1]Chemosphere,2004,vol. 57,p. 615 - 627

43
[ 1469-70-1 ]
[ 90-14-2 ]
[ 2489-86-3 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 4745 - 4747

44
[ 90-14-2 ]
[ 4873-09-0 ]
[ 2489-86-3 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 4745 - 4747

45
1-bromo-2.3-epoxy-3-(1-naphthyl)propane [ No CAS ]
[ 2489-86-3 ]
[ 48140-70-1 ]
[ 22767-77-7 ]
[ 22767-77-7 ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 3248 - 3259

46
[ 36971-15-0 ]
[ 90-11-9 ]
[ 2489-86-3 ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 2210 - 2211
[2]Journal of the American Chemical Society,2007,vol. 129,p. 4463 - 4469

47
[ 151-67-7 ]
[ 2489-86-3 ]
1-(2-bromo-4-chloro-5,5,5-trifluoropentyl)naphthalene [ No CAS ]
C₁₅H₁₄ClF₃ [ No CAS ]

Reference： [1]Journal of Fluorine Chemistry,2006,vol. 127,p. 720 - 729

48
[ 151-67-7 ]
[ 2489-86-3 ]
1-((E,E)-5,5,5-trifluoropenta-1,3-dienyl)naphthalene [ No CAS ]

Reference： [1]Journal of Fluorine Chemistry,2006,vol. 127,p. 720 - 729

49
[ 2489-86-3 ]
[ 184166-48-1 ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 8604 - 8609

50
[ 2489-86-3 ]
[ 184166-30-1 ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 8604 - 8609

51
[ 2489-86-3 ]
4-methoxy-1,5-di-naphthalen-1-ylpentan-2-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 8604 - 8609

52
[ 2489-86-3 ]
[ 184166-42-5 ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 8604 - 8609

53
[ 2489-86-3 ]
[ 145771-05-7 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 2638 - 2643

54
1-naphthylmagnesium chloride lithium chloride [ No CAS ]
[ 106-95-6 ]
[ 2489-86-3 ]

Reference： [1]Patent: EP1582523,2005,A1 .Location in patent: Page/Page column 15

55
[ 357385-13-8 ]
[ 2489-86-3 ]
[ 357385-50-3 ]

Yield	Reaction Conditions	Operation in experiment
	In 5-(oxiran-2-ylmethyl)-2H-benzo [d]1,3-dioxane;	N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-3-naphthylpropyl)piperazinyl]acetamide (13). Compound 13 was prepared in the manner of compound 7 substituting <strong>[2489-86-3]3-(1-naphthyl)-1-propene</strong> for 3-(3,4-methylendioxyphenyl)-1-propene in part C to afford compound 13:Mass spectrum (MH+1)=432.55.

Reference： [1]Patent: US2001/41704,2001,A1

56
methanolic sodium hydroxide [ No CAS ]
[ 2489-86-3 ]
[ 75325-82-5 ]

Yield	Reaction Conditions	Operation in experiment
	With iodine; sodium thiosulfate; In methanol; water; Petroleum ether;	Step A Synthesis of 3-(naphth-1-yl)propyl iodide as an intermediate Under a nitrogen atmosphere a solution of 6.8 grams (0.040 mole) of 3-(naphth-1-yl)-1-propene was stirred at 25 C., and 14 mL (0.013 mole) of 1M borane-tetrahydrofuran complex was added dropwise. The reaction mixture was maintained at 25 C. during the addition and for another hour upon completion of the addition. After this time 1 mL of methanol was added to destroy excess boron intermediates. Iodine, 7.7 grams (0.030 mole), was then added in one portion, followed by the dropwise addition of 10 mL of 3M methanolic sodium hydroxide. Upon completion of addition, the reaction mixture was stirred for five minutes and then was poured into a solution of 3.0 grams of sodium thiosulfate in 150 mL of water. The mixture was extracted with two 100 mL portions of methylene chloride. The combined extracts were dried with magnesium sulfate and filtered. The filtrate was concentrated under reduced pressure to a residual oil. The residual oil was subjected to column chromatography on silica gel. Elution was accomplished using petroleum ether. The elude was concentrated under reduced pressure, yielding 4.0 grams of 3-(naphth-1-yl)propyl iodide. The NMR spectrum was consistent with the proposed structure.

Reference： [1]Patent: US5521192,1996,A

57
[ 112176-15-5 ]
[ 106-95-6 ]
[ 57833-68-8 ]
[ 2489-86-3 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1987,vol. 36,p. 350 - 355
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1987,p. 391 - 396

58
[ 2489-86-3 ]
[ 97-93-8 ]
[ 211309-40-9 ]

Reference： [1]Russian Chemical Bulletin,1998,vol. 47,p. 691 - 694

59
[ 2489-86-3 ]
[ 1197-50-8 ]
[ 1036384-74-3 ]

Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 3562 - 3571

60
[ 591-87-7 ]
[ 13922-41-3 ]
[ 2489-86-3 ]

Reference： [1]Synlett,2008,p. 2711 - 2715

61
[ 1092390-58-3 ]
[ 90-11-9 ]
[ 2489-86-3 ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 16382 - 16393

62
[ 1067909-25-4 ]
[ 2489-86-3 ]
[ 93-91-4 ]
[ 1067909-18-5 ]
[ 1067909-27-6 ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 12901 - 12903

63
[ 2489-86-3 ]
[ 93-91-4 ]
[ 1067909-18-5 ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 12901 - 12903

64
[ 86-52-2 ]
potassium vinyltrifluoroborate [ No CAS ]
[ 2489-86-3 ]

Reference： [1]Journal of Organic Chemistry,2009,vol. 74,p. 2321 - 2327

65
[ 3066-75-9 ]
[ 13922-41-3 ]
[ 2489-86-3 ]

Reference： [1]Tetrahedron Letters,2009,vol. 50,p. 1858 - 1860

66
[ 2489-86-3 ]
sodium N-chloro-2-nitrobenzenesulfonamide [ No CAS ]
[ 1134199-09-9 ]

Reference： [1]Organic and Biomolecular Chemistry,2009,vol. 7,p. 641 - 643

67
[ 13922-41-3 ]
[ 106-95-6 ]
[ 2489-86-3 ]

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 3648 - 3660
[2]European Journal of Organic Chemistry,2009,p. 3964 - 3972
[3]Advanced Synthesis and Catalysis,2013,vol. 355,p. 3648 - 3660

68
[ 106-95-6 ]
[ 166328-07-0 ]
[ 2489-86-3 ]

Reference： [1]European Journal of Organic Chemistry,2009,p. 3964 - 3972

69
[ 119744-43-3 ]
[ 2489-86-3 ]
[ 693785-25-0 ]

Reference： [1]Organic Letters,2010,vol. 12,p. 3740 - 3743
[2]Organic Letters,2010,vol. 12,p. 3740 - 3743

70
[ 2489-86-3 ]
[ 141-78-6 ]
rac-(1S,2S)-1-methyl-2-(1-naphthylmethyl)cyclopropanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%		General procedure: The calcined and argon-filled 50 mL glass reactor equipped with magnetic stirrer was charged with THF (5 mL), Cp2ZrCl2 catalyst (1 mmol), magnesium (powder) (15 mmol), the corresponding alkyl-substituted alpha-olefin (10 mmol), alkyl carboxylate (10 mmol; 20 mmol for alpha,omega-diolefin), and EtAlCl2 (or Et2AlCl) (20 mmol; 40 mmol for alpha,omega-diolefin) and AlCl3 (20 mmol; 40 mmol for alpha,omega-diolefin) under a dry argon atmosphere at 0 C. The reaction mixture was allowed to warm to rt (20-22 C) and stirred for additional 10 h. Upon completion of the reaction and addition of hexane (5 mL), the reaction mixture was treated with 5-8% HCl solution. The organic layer was separated. The aqueous solution was extracted (10 mL×2) by diethyl ether. The resultant ether extract was combined with the organic layer, then was neutralized with Na2CO3 to pH ?7 and dried over MgSO4. The end products were purified by column chromatography on silica gel SiO2 (40-100 mesh grade, hexane/ethyl acetate 4:1 as eluent) and identified by means of spectral methods.

Reference： [1]Tetrahedron,2011,vol. 67,p. 9142 - 9147

71
[ 74-85-1 ]
[ 86-52-2 ]
[ 1855-47-6 ]
[ 2489-86-3 ]

Reference： [1]Journal of the American Chemical Society,2011,vol. 133,p. 19020 - 19023

72
[ 90-14-2 ]
[ 1350927-23-9 ]
[ 1855-47-6 ]
[ 2489-86-3 ]

Reference： [1]Chemistry Letters,2011,vol. 40,p. 967 - 969

73
[ 5838-00-6 ]
[ 2489-86-3 ]
[ 1455397-10-0 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 8764 - 8766

74
[ 637-69-4 ]
[ 86-52-2 ]
[ 2489-86-3 ]

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 17603 - 17607

75
[ 90-11-9 ]
[ 24850-33-7 ]
[ 2489-86-3 ]
[ 22767-77-7 ]

Reference： [1]Organic and Biomolecular Chemistry,2014,vol. 12,p. 3735 - 3743

76
(E)-N-(4-methoxyphenyl)-1-(1-methyl-1H-indol-3-yl)methanimine [ No CAS ]
[ 2489-86-3 ]
C₃₀H₂₈N₂O [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2014,vol. 9,p. 1242 - 1246

77
[ 2489-86-3 ]
[ 22979-35-7 ]
[ 1613403-56-7 ]
methyl 5-(naphthalen-1-yl)-2-phenylpenta-2,4-dienoate [ No CAS ]

Reference： [1]Organic Letters,2014,vol. 16,p. 3332 - 3335

78
[ 2489-86-3 ]
[ 71-43-2 ]
[ 5751-29-1 ]
[ 5751-29-1 ]

Reference： [1]ChemCatChem,2014,vol. 6,p. 1599 - 1603

79
[ 2489-86-3 ]
1-[(3-dimethylsilyl)propyl]naphtalene [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 11570 - 11573
[2]Patent: US2017/22223,2017,A1

80
[ 1066-35-9 ]
[ 2489-86-3 ]
C₁₅H₁₉ClSi [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 11570 - 11573

81
[ 38274-80-5 ]
[ 107-05-1 ]
[ 2489-86-3 ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 15156 - 15158

82
[ 2489-86-3 ]
(((2-phenylpropan-2-yl)oxy)(trifluoromethyl)sulfane) [ No CAS ]
(1-(naphthalen-1-yl)propan-2-yl)(trifluoromethyl)sulfane [ No CAS ]

Reference： [1]Chemical Communications,2015,vol. 51,p. 5479 - 5481

83
[ 2489-86-3 ]
[ 555-16-8 ]
C₂₀H₁₇NO₃ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 4054 - 4057

84
[ 2489-86-3 ]
[ 73183-34-3 ]
4,4,5,5-tetramethyl-2-(1-(naphthalen-1-yl)propan-2-yl)-1,3,2-dioxaborolane [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2015,vol. 80,p. 4142 - 4147

85
[ 68884-32-2 ]
[ 2489-86-3 ]

Reference： [1]Organic Letters,2015,vol. 17,p. 3346 - 3349

86
[ 91-55-4 ]
[ 2489-86-3 ]
C₂₃H₂₁N [ No CAS ]

Reference： [1]Organic Letters,2016,vol. 18,p. 28 - 31

87
[ 2489-86-3 ]
[ 1670-14-0 ]
[ 1314095-66-3 ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 5538 - 5546

88
[ 2489-86-3 ]
[ 22767-77-7 ]
[ 22767-77-7 ]

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 5415 - 5422

Same Skeleton Products

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
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. 2489-86-3 ] {[proInfo.proName]}

Quality Control of [ 2489-86-3 ]

Related Doc. of [ 2489-86-3 ]

Product Details of [ 2489-86-3 ]

Calculated chemistry of [ 2489-86-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 2489-86-3 ]

Application In Synthesis of [ 2489-86-3 ]

[ 2489-86-3 ] Synthesis Path-Downstream 1~88

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry