[ CAS No. 4916-57-8 ] {[proInfo.proName]}

Name: 4916-57-8|1,2-Di(pyridin-4-yl)ethane|95%
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SKU: A697029
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Quality Control of [ 4916-57-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 4916-57-8 ]

Product Details of [ 4916-57-8 ]

CAS No. :	4916-57-8	MDL No. :	MFCD00006451
Formula :	C₁₂H₁₂N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DQRKTVIJNCVZAX-UHFFFAOYSA-N
M.W :	184.24	Pubchem ID :	78630
Synonyms :

Calculated chemistry of [ 4916-57-8 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.17
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	56.29
TPSA :	25.78 Å²

Pharmacokinetics

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) :	-6.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.96
Log Po/w (XLOGP3) :	2.0
Log Po/w (WLOGP) :	2.26
Log Po/w (MLOGP) :	1.49
Log Po/w (SILICOS-IT) :	3.17
Consensus Log Po/w :	2.18

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.68
Solubility :	0.386 mg/ml ; 0.0021 mol/l
Class :	Soluble
Log S (Ali) :	-2.17
Solubility :	1.25 mg/ml ; 0.00679 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.98
Solubility :	0.00193 mg/ml ; 0.0000105 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.35

Safety of [ 4916-57-8 ]

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

Application In Synthesis of [ 4916-57-8 ]

* 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.

Upstream synthesis route of [ 4916-57-8 ]
Downstream synthetic route of [ 4916-57-8 ]

[ 4916-57-8 ] Synthesis Path-Upstream 1~22

1
[ 4916-57-8 ]
[ 13362-78-2 ]

Reference： [1] Journal of the American Chemical Society, 1952, vol. 74, p. 5979,5981
[2] Journal of the American Chemical Society, 1948, vol. 70, p. 2330,2333

2
[ 108-89-4 ]
[ 4916-57-8 ]
[ 5421-79-4 ]
[ 13362-78-2 ]

Reference： [1] Phosphorus and Sulfur and the Related Elements, 1986, vol. 28, p. 315 - 326

3
[ 108-89-4 ]
[ 4916-57-8 ]
[ 13362-78-2 ]
[ 135295-40-8 ]
[ 135295-44-2 ]
[ 135295-42-0 ]
[ 135295-41-9 ]

Reference： [1] Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 55, # 1-4, p. 9 - 17

4
[ 108-89-4 ]
[ 4916-57-8 ]
[ 5421-79-4 ]
[ 13362-78-2 ]
[ 64048-12-0 ]

Reference： [1] Phosphorus and Sulfur and the Related Elements, 1986, vol. 28, p. 315 - 326

5
[ 108-89-4 ]
[ 4916-57-8 ]
[ 5421-79-4 ]

Yield	Reaction Conditions	Operation in experiment
16%	With hydrogenchloride; sulfur In water at 120℃; for 24 h;	4-Methylpyridine (1.6 g, 17.18 mmol), sulphur powder (275 mg, 8.59 mmol) and concentrated hydrochloric acid (12M, 0.48 mL, 5.76 mmol) were mixed and heated to 120 ° C and stirred for 24 h. The mixture was cooled to room temperature, dichloromethane (20 mL) and aq. EtOAc (EtOAc) Ethylamine = 97/2/1 to 90/7/3) was isolated and purified to give a yellow solid compound 1,2-di(pyridin-4-yl)ethane (520 mg, yield: 16percent) 4 ',4"-(propane-1,2,3-triyl)tripyridine (1.2 g, yield: 25percent).

Reference： [1] Organic Letters, 2013, vol. 15, # 16, p. 4218 - 4221
[2] Patent: CN108440393, 2018, A, . Location in patent: Paragraph 0055; 0058; 0059; 0060; 0061

6
[ 108-89-4 ]
[ 4916-57-8 ]

Reference： [1] Journal of Organometallic Chemistry, 1986, vol. 303, p. 301 - 308
[2] Journal of Organometallic Chemistry, 2006, vol. 691, # 6, p. 1110 - 1116
[3] Journal of the American Chemical Society, 1948, vol. 70, p. 2330,2333
[4] Journal of the American Chemical Society, 1948, vol. 70, p. 2330,2333
[5] Journal of the American Chemical Society, 1948, vol. 70, p. 2330,2333
[6] Chemistry - A European Journal, 2018, vol. 24, # 46, p. 12054 - 12060

7
[ 872-85-5 ]
[ 4916-57-8 ]

Reference： [1] Heterocycles, 1990, vol. 31, # 7, p. 1271 - 1274
[2] Journal of the American Chemical Society, 1948, vol. 70, p. 2330,2333

8
[ 13362-78-2 ]
[ 4916-57-8 ]

Reference： [1] Journal of the American Chemical Society, 1948, vol. 70, p. 2330,2333

9
[ 108-89-4 ]
[ 4916-57-8 ]
[ 1135-32-6 ]

Reference： [1] Petroleum Chemistry, 2002, vol. 42, # 1, p. 38 - 41
[2] Petroleum Chemistry, 2002, vol. 42, # 1, p. 38 - 41

10
[ 108-89-4 ]
[ 19524-06-2 ]
[ 462-08-8 ]
[ 504-24-5 ]
[ 60776-05-8 ]
[ 4916-57-8 ]

Reference： [1] Journal of Organic Chemistry, 1983, vol. 48, # 14, p. 2392 - 2399

11
[ 67-56-1 ]
[ 13362-78-2 ]
[ 4916-57-8 ]
[ 73070-02-7 ]
[ 62415-98-9 ]
[ 62415-98-9 ]

Reference： [1] Tetrahedron Letters, 2013, vol. 54, # 30, p. 3997 - 4000
[2] Tetrahedron Letters, 2013, vol. 54, # 30, p. 3997 - 4000

12
[ 67-56-1 ]
[ 13362-78-2 ]
[ 4916-57-8 ]
[ 73070-02-7 ]
[ 62415-98-9 ]

Reference： [1] Tetrahedron Letters, 2013, vol. 54, # 30, p. 3997 - 4000

13
[ 13362-78-2 ]
[ 4916-57-8 ]
[ 62415-98-9 ]
[ 73078-76-9 ]
[ 14802-45-0 ]

Reference： [1] Journal of Organic Chemistry, 1980, vol. 45, # 9, p. 1565 - 1573

14
[ 13362-78-2 ]
[ 4916-57-8 ]
[ 860704-15-0 ]
[ 73070-02-7 ]
[ 62415-98-9 ]

Reference： [1] Liebigs Annalen der Chemie, 1982, # 6, p. 1183 - 1210

15
[ 73564-69-9 ]
[ 4916-57-8 ]

Reference： [1] Journal of Chemical Research, Miniprint, 1983, # 11, p. 2417 - 2429

16
[ 108-89-4 ]
[ 1620-55-9 ]
[ 4916-57-8 ]
[ 3337-46-0 ]

Reference： [1] Canadian Journal of Chemistry, 1990, vol. 68, # 4, p. 587 - 591

17
[ 108-89-4 ]
[ 110-86-1 ]
[ 4916-57-8 ]

Reference： [1] Petroleum Chemistry, 2002, vol. 42, # 1, p. 38 - 41

18
[ 108-89-4 ]
[ 94-36-0 ]
[ 1620-55-9 ]
[ 4916-57-8 ]
[ 3337-46-0 ]

Reference： [1] Canadian Journal of Chemistry, 1990, vol. 68, # 4, p. 587 - 591

19
[ 108-89-4 ]
[ 4916-57-8 ]
[ 5421-79-4 ]
[ 13362-78-2 ]

Reference： [1] Phosphorus and Sulfur and the Related Elements, 1986, vol. 28, p. 315 - 326

20
[ 108-89-4 ]
[ 110-05-4 ]
[ 4916-57-8 ]

Reference： [1] Chemistry and Industry (London, United Kingdom), 1958, p. 328
[2] Journal of the Chemical Society, 1960, p. 1168,1446[3] Chemistry and Industry (London, United Kingdom), 1958, p. 328

21
[ 108-89-4 ]
[ 4916-57-8 ]
[ 13362-78-2 ]
[ 135295-40-8 ]
[ 135295-44-2 ]
[ 135295-42-0 ]
[ 135295-41-9 ]

Reference： [1] Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 55, # 1-4, p. 9 - 17

22
[ 108-89-4 ]
[ 4916-57-8 ]
[ 5421-79-4 ]
[ 13362-78-2 ]
[ 64048-12-0 ]

Reference： [1] Phosphorus and Sulfur and the Related Elements, 1986, vol. 28, p. 315 - 326

[ 4916-57-8 ] Synthesis Path-Downstream 1~88

1
[ 108-89-4 ]
[ 94-36-0 ]
[ 1620-55-9 ]
[ 4916-57-8 ]
[ 3337-46-0 ]

Reference： [1]Canadian Journal of Chemistry,1990,vol. 68,p. 587 - 591

2
[ 108-89-4 ]
[ 1620-55-9 ]
[ 4916-57-8 ]
[ 3337-46-0 ]

Reference： [1]Canadian Journal of Chemistry,1990,vol. 68,p. 587 - 591

3
[ 4916-57-8 ]
[ 16533-71-4 ]
C₁₂H₁₂N₂*2C₈H₆N₂O₆ [ No CAS ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 2411 - 2415

4
[ 553-26-4 ]
[ 4916-57-8 ]
[ 16526-68-4 ]
C₉H₁₂O₆*C₁₀H₈N₂*0.5C₁₂H₁₂N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

5
[ 4916-57-8 ]
[ 1032817-56-3 ]
[ 16526-68-4 ]
[ 73564-68-8 ]
C₉H₁₂O₆*0.18C₁₂H₉BrN₂*0.5C₁₂H₁₀Br₂N₂*0.82C₁₂H₁₂N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

6
[ 4916-57-8 ]
[ 106-46-7 ]
[ 2029-58-5 ]
[ 16526-68-4 ]
0.5C₆H₄Cl₂*C₉H₁₂O₆*C₁₂H₁₂N₂*0.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

7
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 95-47-6 ]
[ 16526-68-4 ]
0.5C₈H₁₀*C₉H₁₂O₆*C₁₂H₁₂N₂*0.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

8
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 106-42-3 ]
[ 16526-68-4 ]
0.5C₈H₁₀*C₉H₁₂O₆*C₁₂H₁₂N₂*0.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

9
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 95-49-8 ]
[ 16526-68-4 ]
0.5C₇H₇Cl*C₉H₁₂O₆*C₁₂H₁₂N₂*0.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

10
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 16526-68-4 ]
2C₉H₁₂O₆*2C₁₂H₁₂N₂*1.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

11
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 16526-68-4 ]
[ 100-66-3 ]
0.5C₇H₈O*C₉H₁₂O₆*C₁₂H₁₂N₂*0.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

12
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 16526-68-4 ]
[ 95-50-1 ]
0.5C₆H₄Cl₂*C₉H₁₂O₆*C₁₂H₁₂N₂*0.5C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

13
[ 4916-57-8 ]
[ 2029-58-5 ]
[ 16526-68-4 ]
[ 100-51-6 ]
C₇H₈O*2C₉H₁₂O₆*2C₁₂H₁₂N₂*C₁₄H₁₆N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

14
[ 4916-57-8 ]
[ 16526-68-4 ]
[ 13362-78-2 ]
C₉H₁₂O₆*C₁₂H₁₀N₂*0.5C₁₂H₁₂N₂ [ No CAS ]

Reference： [1]New Journal of Chemistry,2008,vol. 32,p. 800 - 807

15
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[ 71-43-2 ]
[Zn(II)(m-isophthalate)(1,2-bis(4-pyridyl)ethane)]*benzene [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862

16
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[ 71-43-2 ]
[Zn(II)(m-isophthalate)(1,2-bis(4pyridyl)ethane)]*benzene [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862
[2]Chemical Communications,2001,p. 861 - 862

17
[ 123-91-1 ]
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[Zn(II)(m-isophthalate)(1,2-bis(4-pyridyl)ethane)]*dioxane [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862

18
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[ 108-88-3 ]
[Zn(II)(isophthalate)(m-1,2-bis(4-pyridyl)ethane)]*toluene [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862

19
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[ 100-52-7 ]
[Zn(II)(m-isophthalate)(1,2-bis(40pyridyl)ethane)]*benzaldehyde [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862

20
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[ 98-95-3 ]
[Zn(II)(m-isophthalate)(1,2-bis(4-pyridyl)ethane)]*nitrobenzene [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862

21
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 19806-17-8 ]
[ 98-95-3 ]
[Zn(II)(m-isophthalate)(1,2-bis(4-pyridyl)ethane)]*nitrobenzene [ No CAS ]

Reference： [1]Chemical Communications,2001,p. 861 - 862
[2]Chemical Communications,2001,p. 861 - 862

22
[ 4916-57-8 ]
[ 16533-71-4 ]
[ 7732-18-5 ]
[ 6192-12-7 ]
[Pr(III)2(3,5-dinitro-4-methylbenzoate)6(H₂O)4]*1,2-bis(4-pyridyl)ethane*4H₂O [ No CAS ]

Reference： [1]Chemical Communications,2005,p. 1824 - 1826

23
[ 4916-57-8 ]
[ 20349-50-2 ]
[ 131-16-8 ]
[ 6156-78-1 ]
[ 68-12-2 ]
[Mn₆(N-acetylsalicylhydrazide^(3-))6(1,2-bis(pyridyl)ethane)2(N,N-dimethylformamide)2]*x(dipropyl phthalate)*y(N,N-dimethylformamide) [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 1934 - 1940

24
[ 4916-57-8 ]
[ 314287-85-9 ]
[ 131-16-8 ]
[ 6156-78-1 ]
[ 68-12-2 ]
[Mn₆(N-propionylsalicylhydrazide^(3-))6(1,2-bis(pyridyl)ethane)2(N,N-dimethylformamide)2]*x(dipropyl phthalate)*y(N,N-dimethylformamide) [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 1934 - 1940

25
[ 4916-57-8 ]
[ 83431-78-1 ]
[ 131-16-8 ]
[ 6156-78-1 ]
[ 68-12-2 ]
[Mn₆(N-hexanoylsalicylhydrazide^(3-))6(1,2-bis(pyridyl)ethane)2(N,N-dimethylformamide)2]*x(dipropyl phthalate)*y(N,N-dimethylformamide) [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 1934 - 1940

26
[ 4916-57-8 ]
zinc hydroxide hydrate [ No CAS ]
[ 99-14-9 ]
[ 7732-18-5 ]
[Zn(tricarballylic acid-2H)(1,2-bis(4-pyridine)ethane)](n)*4nH₂O [ No CAS ]

Reference： [1]Inorganica Chimica Acta,2006,vol. 359,p. 3540 - 3548

27
[ 4916-57-8 ]
copper nitrate hemi(pentahydrate) [ No CAS ]
[ 605-70-9 ]
([Cu(1,2-bis(4-pyridyl)ethane)1.5(1,4-naphthalenedicarboxylate)](H₂O))n [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 9225 - 9231

28
iron(II) nitrate [ No CAS ]
[ 4916-57-8 ]
[ 7732-18-5 ]
[ 68-04-2 ]
[ 1005007-95-3 ]

Reference： [1]Inorganica Chimica Acta,2008,vol. 361,p. 173 - 182

29
[ 4916-57-8 ]
[ 940-07-8 ]
copper(II) acetate dihydrate [ No CAS ]
[ 7732-18-5 ]
[ 937021-46-0 ]

Reference： [1]Inorganica Chimica Acta,2007,vol. 360,p. 2029 - 2038

30
[ 4916-57-8 ]
[ 940-07-8 ]
[ 5970-45-6 ]
[(Zn(pyrazine-2,6-dicarboxylate)(H2O)2)2(μ-1,2-bis(4-pyridyl)ethane]*1.75H2O [ No CAS ]

Reference： [1]Journal of Molecular Structure,2007,vol. 832,p. 48 - 54

31
[ 67-56-1 ]
[ 4916-57-8 ]
[ 940-07-8 ]
[ 7732-18-5 ]
[ 6147-53-1 ]
[Co₂(pyrazine-2,6-dicarboxylic acid(-2H))2(1,2-bis(4-pyridyl)ethane)(H₂O)4]*0.5CH₃OH*H₂O [ No CAS ]

Reference： [1]Polyhedron,2008,vol. 27,p. 717 - 726

32
[ 4916-57-8 ]
[ 940-07-8 ]
[ 7732-18-5 ]
[ 6147-53-1 ]
[Co(pyrazine-2,6-dicarboxylic acid(-2H))(1,2-bis(4-pyridyl)ethane)]*0.125(1,2-bis(4-pyridyl)ethane)*1.75H₂O [ No CAS ]

Reference： [1]Polyhedron,2008,vol. 27,p. 717 - 726

33
[ 4916-57-8 ]
[ 39269-10-8 ]
silver nitrate [ No CAS ]
[Ag(1,2-bis(4-pyridyl)ethane)(1,3-adamantanedicarboxylic acid(-1H))] [ No CAS ]

Reference： [1]Dalton Transactions,2009,p. 10181 - 10191

34
[ 4916-57-8 ]
copper(II) acetate dihydrate [ No CAS ]
[ 46331-50-4 ]
[ 1221566-07-9 ]

Reference： [1]Dalton Transactions,2010,vol. 39,p. 2301 - 2308

35
[ 4916-57-8 ]
copper(II) acetate dihydrate [ No CAS ]
[ 46331-50-4 ]
(Cu₂(5-methoxyisophthalate)2(1,2-bis(4-pyridyl)ethane)0.5(H₂O))n [ No CAS ]

Reference： [1]Dalton Transactions,2010,vol. 39,p. 2301 - 2308

36
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 605-70-9 ]
[ 68-12-2 ]
[Zn(II)(1,2-bis(4-pyridyl)ethane)(1,4-naphthalenedicarboxylate)]2*2DMF [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2010,p. 3762 - 3769

37
[ 4916-57-8 ]
zinc(II) acetate tetrahydrate [ No CAS ]
[ 46331-50-4 ]
[zinc(1,2-bis(4-pyridyl)ethylene)(5-methoxyisophthalic acid(-H))2(H₂O)2] [ No CAS ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,2010,vol. 636,p. 1606 - 1611

38
[ 4916-57-8 ]
zinc(II) acetate tetrahydrate [ No CAS ]
[ 46331-50-4 ]
[zinc(1,2-bis(4-pyridyl)ethylene)(5-methoxyisophthalic acid(-2H))] monohydrate [ No CAS ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,2010,vol. 636,p. 1606 - 1611

39
[ 4916-57-8 ]
zinc(II) acetate tetrahydrate [ No CAS ]
[ 46331-50-4 ]
calcium hydroxide [ No CAS ]
[(zinc)2(calcium)(1,2-bis(4-pyridyl)ethylene)(5-mthoxyisophthalic acid(-H))2(5-methoxyisophthalic acid(-2H))2] [ No CAS ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,2010,vol. 636,p. 1606 - 1611

40
[ 4916-57-8 ]
[ 3807-81-6 ]
[ 7732-18-5 ]
[ 373-02-4 ]
[Ni₃(5-nitro-1,2,3-benzenetricarboxylate)2(1,2-bis(4-pyridyl)ethane)2(H₂O)2]*2H₂O [ No CAS ]

Reference： [1]Dalton Transactions,2010,vol. 39,p. 8210 - 8218

41
[ 4916-57-8 ]
copper(II) nitrate hexahydrate [ No CAS ]
[ 499-49-0 ]
Cu(II)(5-methylisophthalate)(1,2-bis(4-pyridyl)ethane)0.5 [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2011,vol. 14,p. 493 - 496

42
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 610-09-3 ]
[Zn2(e,a-cis-1,2-cyclohexanedicarboxylate)2(H2O)(μ-1,2-bis(4-pyridyl)ethane)]*4H2O [ No CAS ]

Reference： [1]New Journal of Chemistry,2011,vol. 35,p. 833 - 841

43
[ 4916-57-8 ]
[ 499-49-0 ]
[ 6046-93-1 ]
Cu₂(5-methylisophthalic acid^(2-))2(1,2-bis(4-pyridyl)-ethane) [ No CAS ]

Reference： [1]Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry,2011,vol. 41,p. 241 - 244

44
[ 4916-57-8 ]
[ 23351-91-9 ]
[ 6156-78-1 ]
[ 1333488-51-9 ]

Reference： [1]Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry,2011,vol. 41,p. 888 - 892

45
[ 4916-57-8 ]
cadmium(II) nitrate tetrhydrate [ No CAS ]
[ 23351-91-9 ]
Cd(1,2-bis(4-pyridyl)ethane)1.5(5-bromoisophthalate) [ No CAS ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,2012,vol. 638,p. 455 - 460

46
[ 4916-57-8 ]
[ 15733-89-8 ]
[ 557-34-6 ]
2H₂O*C₁₂H₁₂N₂*Zn*C₂₀H₁₄N₂O₆ [ No CAS ]

Reference： [1]CrystEngComm,2012,vol. 14,p. 8499 - 8508

47
[ 4916-57-8 ]
[ 15733-89-8 ]
[ 71-48-7 ]
11.25H₂O*C₁₂H₁₂N₂*C₂₀H₁₄N₂O₆*Co [ No CAS ]

Reference： [1]CrystEngComm,2012,vol. 14,p. 8499 - 8508

48
[ 4916-57-8 ]
[ 15733-89-8 ]
[ 638-38-0 ]
6H₂O*C₁₂H₁₂N₂*C₂₀H₁₄N₂O₆*Mn [ No CAS ]

Reference： [1]CrystEngComm,2012,vol. 14,p. 8499 - 8508

49
[ 4916-57-8 ]
[ 15733-89-8 ]
[ 543-90-8 ]
[Cd(2-hydroxyquinoline-4-carboxylic acid)₂(1,2-bis(4-pyridyl)ethane)(H₂O)₂]*0.5(1,2-bis(4-pyridyl)ethane)*5(H₂O) [ No CAS ]

Reference： [1]CrystEngComm,2012,vol. 14,p. 8499 - 8508

50
[ 4916-57-8 ]
[ 501-89-3 ]
[ 5743-04-4 ]
[Cd₃(homoterephthalate)₂(1,2-bis(4-pyridyl)ethane)₂(acetate)₂]_n [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 2428 - 2437

51
[ 4916-57-8 ]
[ 46331-50-4 ]
[ 1430420-04-4 ]

Reference： [1]Australian Journal of Chemistry,2013,vol. 66,p. 464 - 469

52
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 46331-50-4 ]
[ 68-12-2 ]
[ 1430420-05-5 ]

Reference： [1]Australian Journal of Chemistry,2013,vol. 66,p. 464 - 469
[2]Inorganic Chemistry,2019,vol. 58,p. 2080 - 2088

53
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 499-49-0 ]
[ 68-12-2 ]
[ 1430420-06-6 ]

Reference： [1]Australian Journal of Chemistry,2013,vol. 66,p. 464 - 469

54
[ 4916-57-8 ]
[ 537-55-3 ]
[ 5743-04-4 ]
[Cd(N-acetyl-L-tyrosinate)(1,2-di(4-pyridyl)ethane)(acetic acid)(-H)]*6H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42.3%	In methanol; at 20℃; for 0.166667h;	General procedure: A mixture of an aqueous methanol solution of Zn(NO3)2·6H2O (29.7 mg, 0.1 mmol), Hacty (22.3 mg, 0.1 mmol), and bipy (15.6 mg, 0.1 mmol) was stirred for 10 min at room temperature and then filtered.

Reference： [1]Journal of Solid State Chemistry,2013,vol. 206,p. 182 - 191

55
[ 4916-57-8 ]
[ 499-49-0 ]
3NO₃^(1-)*Zn⁽²⁺⁾*6H₂O [ No CAS ]
[ 1198077-38-1 ]

Yield	Reaction Conditions	Operation in experiment
42%	With sodium hydroxide; In ethanol; water; at 130℃; for 72h;pH 5.5;Autoclave;	A mixture of Zn(NO3)36H2O (0.2 mmol) and H2mip (0.2 mmol)and bpe (0.2 mmol) were added to 10 ml H2O/EtOH (1:1 volumeratio). The pH value was adjusted to 5.5 with 1.0 mmol L1 NaOHsolution. It was then sealed in a 25 mL Teflon-lined stainless steelautoclave and heated at 130 C for 3 days and then slowly cooled toroom temperature. Colorless block crystals were collected by filtrationand washed with distilled water in 42percent yield based on bpe.Anal. Calcd. for C21H18N2O4Zn (percent): C, 58.96; H, 4.24; N, 6.55. Found(percent): C, 59.12; H, 4.39; N, 6.38. IR (KBr, cm1): 3392(s), 1612(s),1550(s), 1432(s), 1370(s), 1106(w), 726

Reference： [1]Journal of Molecular Structure,2014,vol. 1056-1057,p. 52 - 55

56
[ 4916-57-8 ]
copper(II) acetate tetrahydrate [ No CAS ]
[ 835-58-5 ]
[Cu(4-(trifluoromethyl)phthalic acid(-2H))(1,2-bis(4-pyridyl)ethane)]n [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 4571 - 4580

57
[ 4916-57-8 ]
[ 69-78-3 ]
[ 7732-18-5 ]
[ 6156-78-1 ]
C₁₄H₆N₂O₈S₂^(2-)*Mn⁽²⁺⁾*3H₂O*C₁₂H₁₂N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	With sodium hydroxide; In ethanol; at 130℃; for 144h;pH 7;High pressure;	Compound 2 was synthesized analogously to 1 except that bpe was replaced by bpa. Colorless block X-ray-quality crystals (0.026 g, 60% yield) were obtained. Anal. Calcd for C26H24MnN4O11S2: C, 45.42; H, 3.51; N, 8.15. Found: C, 45.54; H, 3.74; N, 8.71.

Reference： [1]Journal of Coordination Chemistry,2013,vol. 66,p. 1676 - 1685

58
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1188-38-1 ]
[ 7732-18-5 ]
[ 1310-73-2 ]
[Zn(1,2-bis(4-pyridyl)ethane)(N-carbamylglutamate)(NaNO₃)0.5H₂O]n [ No CAS ]

Reference： [1]Crystal Growth and Design,2014,vol. 14,p. 6230 - 6238

59
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1188-38-1 ]
[ 7732-18-5 ]
[Zn(1,2-bis(4-pyridyl)ethane)(N-carbamylglutamate)·3H2O]n [ No CAS ]

Reference： [1]Crystal Growth and Design,2014,vol. 14,p. 6230 - 6238

60
zinc perchlorate [ No CAS ]
[ 5928-51-8 ]
[ 4916-57-8 ]
[Zn(1,2-bis(4-pyridyl)ethane)_1.5(2-thiophenepropionate)]*ClO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of zinc perchlorate hexahydrate (0.1169 g, 0.3139 mmol), 2-thiophenepropionic acid (0.200 g, 1.2820 mmol), bpa (0.1031 g, 0.5603 mmol) water (30 mL) and ethanol (30 mL). This mixture was stirred for 30 min and stoichiometrically neutralized with sodium hydroxide. This solution was sealed in a polyfluoroethylene-lined stainless steel bomb, heated to 90 C in 6 h and kept at 90 C under autogenous pressure for 72 h. After cooling at a ramp of 0.77 C/h to room temperature, the solution was transferred to a beaker and then suitable single crystals were obtained after a few days and separated by filtration. Elemental analysis for compound 2: Anal. Calc: C25H25ClN3O6SZn: C, 50.35%; H, 4.23%; N, 7.05%. Found: C, 51.93%; H, 4.33%; N, 6.93%.

Reference： [1]Journal of Molecular Structure,2015,vol. 1085,p. 21 - 27

61
zinc perchlorate [ No CAS ]
[ 5928-51-8 ]
[ 4916-57-8 ]
[Zn₃(1,2-bis(4-pyridyl)ethane)₄(2-thiophenepropionate)₄]*(ClO₄)₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of 2-thiophenepropionic acid (0.0118 g,0.0756 mmol), bpa (0.0135 g, 0.0733 mmol) and of KOH (0.0029 g, 0.0517 mmol) was dissolved in ethanol (10 mL) and stirredfor 30 min resulting in a homogeneous colorless solution; tothis solution was added by slow diffusion 5 mL of an aqueous solutioncontaining zinc perchlorate hexahydrate (0.026 g,0.0698 mmol). Suitable single crystals were obtained after a fewdays and separated by filtration. Elemental analysis for compound3: Anal. Calc. C76H77Cl2N8O16S4Zn3: C, 52.05%; H, 4.43%; N, 6.39%.Found C, 52.01%; H, 4.35% N, 7.07%.

Reference： [1]Journal of Molecular Structure,2015,vol. 1085,p. 21 - 27

62
[ 4916-57-8 ]
nickel(II) nitrate hexahydrate [ No CAS ]
[ 19094-48-5 ]
[ 7732-18-5 ]
[nickel(II)(3,5-diiodobenzoic acid-1H)2(1,2-bis(4-pyridyl)ethane)*H₂O] [ No CAS ]

Reference： [1]Crystal Growth and Design,2014,vol. 14,p. 6325 - 6336

63
[ 4916-57-8 ]
manganese(II) chloride tetrahydrate [ No CAS ]
[ 19094-48-5 ]
[(manganese(II))3(3,5-diiodobenzoic acid-1H)6(1,2-bis(4-pyridyl)ethane)] [ No CAS ]

Reference： [1]Crystal Growth and Design,2014,vol. 14,p. 6325 - 6336

64
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 4916-57-8 ]
[ 3971-31-1 ]
C₈H₁₀O₄^(2-)*C₁₂H₁₂N₂*Co⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In methanol; water;Heating;	Typical metal complex, 1c was prepared by dissolving 1 (30 mg,0.18 mmol) and aza-donor (c) (25 mg, 0.18 mmol) along with two equivalents of NaOH (14 mg, 0.36 mmol), in a 25 mL mixture of CH3OH and H2O by heating on a water bath and allowed for slow evaporation at ambient conditions. Good quality single crystals suitable for X-ray diffraction study were obtained within 72 h.

Reference： [1]Journal of Molecular Structure,2015,vol. 1100,p. 455 - 463

65
[ 4916-57-8 ]
nickel(II) chloride hexahydrate [ No CAS ]
[ 46022-05-3 ]
C₈H₁₀O₄^(2-)*5H₂O*Ni⁽²⁺⁾*C₁₂H₁₂N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
52%	With sodium hydroxide; In water; at 110℃; for 48h;Sealed tube;	A mixture of H2L (0.0086 g, 0.05 mmol), NiCl2·6H2O (0.0125 g, 0.05 mmol) 1,2-Di(4-pyridyl)ethane (0.0090 g, 0.05 mmol), NaOH (0.004 g, 0.1 mmol), and 6 ml H2O was sealed in a 23 ml Teflon lined stainless steel container and heated to 110 °C for 2 days, which was slowly cooled to room temperature. Blue block crystals of 6 were collected. Yield of 52percent (based on H2L). Anal. Calc. For NiO9N2H32C20: C, 47.70; H, 6.36; N, 5.56. Found: C,47.87; H, 6.48; N, 5.35percent. IR (KBr pellet, cm-1): 3541w, 2938m, 2857w, 1625m, 1553m, 1409s, 1346m, 1292m, 1229s, 1112m, 1067m, 1023s, 806m, 707s, 600s, 527s.

Reference： [1]Inorganica Chimica Acta,2016,vol. 443,p. 110 - 117

66
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 1119-72-8 ]
[Zn(μ-muconate)₂(μ-1,2-bis(4-pyridyl)ethane)₂*4(H₂O)] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water; N,N-dimethyl-formamide;	14.2 mg (0.1 mmol) of muconic acid, 25.3 muL (0.2 mmol) of NH4OH, 13.9 mg (0.1 mmol) of ZnCl2 and 37.2 mg (0.2 mmol) of 1,2- It dissolved. 5 mL of dimethylformamide was added to the solution to prepare a mixed solution, and the mixed solution was placed in a 20 cm 3 container. The inlet of the vessel was closed and heated to 85 DEG C for 84 hours and then cooled to 25 DEG C at a rate of 10 DEG C / h. 23.6 mg of the compound of Formula 5 was obtained, and the crystal structure of Formula 5 was analyzed by X-ray analysis

Reference： [1]Patent: KR101546570,2015,B1 .Location in patent: Paragraph 0086; 0087; 0088

67
[ 4916-57-8 ]
[ 344-03-6 ]
C₁₂H₁₂N₂*C₆Br₂F₄ [ No CAS ]

Reference： [1]Chemistry - A European Journal,2016,vol. 22,p. 16819 - 16828

68
[ 67-56-1 ]
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 540-67-0 ]
[ 605-70-9 ]
[ 68-12-2 ]
[Zn₄(1,4-naphthalenedicarboxylate)₄(1,2-bis-(4-pyridyl)ethane)₂]*DMF*1.5MeOEt*MeOH*H₂O [ No CAS ]

Reference： [1]Chemistry - A European Journal,2016,vol. 22,p. 15864 - 15873

69
[ 4916-57-8 ]
[ 603-11-2 ]
[ 7732-18-5 ]
[ 6156-78-1 ]
[Mn₂(4-nitrobenzene-1,2-bicarboxylate)2(1,2-bi(4-pyridyl)ethane)(H₂O)4]n [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; at 120℃; for 96h;High pressure; Autoclave;	A mixture of H2Nbdc(0.1 mmol, 21.1 mg), Bipye (0.2 mmol, 18.5 mg),Mn(Ac)2 · 4H2O (0.1 mmol, 24.5 mg), H2O (6.0 mL),and KOH (0.1 mmol) were sealed in a 23 mL Teflonlinedautoclave, heated to 120C for 4 days, thencooled at 5 Kappa/h to room temperature. For C28H26N4O16Mn2anal. calcd, %: C, 42.87; H, 3.34; N, 7.14.Found, %: C, 42.70; H, 3.42; N, 7.29.

Reference： [1]Russian Journal of Coordination Chemistry,2016,vol. 42,p. 742 - 748
Koord. Khim.,2016,vol. 42,p. 742 - 748,7

70
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 7325-46-4 ]
2Zn⁽²⁺⁾*2C₁₀H₈O₄^(2-)*2C₁₂H₁₂N₂*5H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of H2ppda (1 mmol, 0.2 g), Zn(NO3)26H2O (0.5 mmol,0.15 g), NaOH (0.5 mmol, 0.02 g), bpa (0.5 mmol, 0.09 g) and H2O(10 mL) was stirred at 70 C for half an hour and thenwas heated ina microwave oven for 30 min with the power set at 600 W. Afterirradiation, the flask was allowed to cool to room temperature.Colorless crystals of 1 were collected by filtration and washedseveral times with water. The complex is all air stable at roomtemperature. Analytically calculated for C44H50N4O13Zn2: C 54.28, H5.18, N 5.75. Found: C 54.42, H 5.34, N 5.80. IR (KBr, cm1): 3366 w,3270 w, 3050 w, 2931 w, 1619 s, 1580 vs, 1434 s, 1366 vs, 1229 m,1144 w, 1071 w, 1033 w, 935 w, 837 m, 724 s, 638 m, 547 m.

Reference： [1]Journal of Molecular Structure,2017,vol. 1143,p. 355 - 361

71
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 130-85-8 ]
Zn(pamoate)(1,2-bis(4-pyridyl)ethane) [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 6772 - 6775

72
[ 4916-57-8 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 64-17-5 ]
[ 22818-40-2 ]
C₈H₈NO₃^(1-)*Zn⁽²⁺⁾*NO₃^(1-)*C₂H₆O*C₁₂H₁₂N₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With sodium hydroxide; In water; for 0.333333h;	(1) accurately weighed 0.1 mmolZn (NO3) 2 · 6H2O and 0.1 mmol D-Hhpg in a 50 mL beaker, 8 mL of distilled water was added, stirred until it was completely dissolved, and then 0.1 mmolbpe in 8 mL of ethanol was added dropwise to the above solution. After stirring for 20 minutes, the mixed solution was adjusted to pH = 5.1 with 1 mol·L-1 NaOH solution;(2) The mixed solution of (1) in the step is filtered and the filtrate is allowed to stand at room temperature and slowly evaporated,After two weeks to grow colorless block crystals, that is, with a fluorescent recognition function of chiral amino acid derivatives metal zinc organic complex. The yield is66% (based on Zn).

Reference： [1]Patent: CN106916174,2017,A .Location in patent: Paragraph 0045; 0046

73
[ 174671-46-6 ]
[ 4916-57-8 ]
2C₇H₆BFO₂*C₁₂H₁₂N₂ [ No CAS ]

Reference： [1]CrystEngComm,2017,vol. 19,p. 2983 - 2986

74
[ 1124-11-4 ]
[ 4916-57-8 ]
[ 92-52-4 ]
[ 6201-65-6 ]
2C₆H₅ClO₂*C₈H₁₂N₂*C₁₂H₁₀*C₁₂H₁₂N₂ [ No CAS ]