[ CAS No. 4054-67-5 ] {[proInfo.proName]}

Name: 4054-67-5|3,3',5,5'-Tetramethyl-1H,1'H-4,4'-bipyrazole|98%
Brand: Ambeed
SKU: A121523
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Quality Control of [ 4054-67-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 4054-67-5 ]

CAS No. :	4054-67-5	MDL No. :	MFCD00464842
Formula :	C₁₀H₁₄N₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AZVPUVHTLAXDBK-UHFFFAOYSA-N
M.W :	190.25	Pubchem ID :	744436
Synonyms :

Calculated chemistry of [ 4054-67-5 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.4
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	56.03
TPSA :	57.36 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.0
Log Po/w (XLOGP3) :	1.74
Log Po/w (WLOGP) :	2.03
Log Po/w (MLOGP) :	0.89
Log Po/w (SILICOS-IT) :	3.43
Consensus Log Po/w :	1.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.58
Solubility :	0.502 mg/ml ; 0.00264 mol/l
Class :	Soluble
Log S (Ali) :	-2.56
Solubility :	0.522 mg/ml ; 0.00275 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.14
Solubility :	0.0137 mg/ml ; 0.0000721 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.12

Safety of [ 4054-67-5 ]

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 [ 4054-67-5 ]

* 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 [ 4054-67-5 ]
Downstream synthetic route of [ 4054-67-5 ]

[ 4054-67-5 ] Synthesis Path-Upstream 1~2

1
[ 5027-32-7 ]
[ 4054-67-5 ]

Reference： [1] CrystEngComm, 2013, vol. 15, # 41, p. 8280 - 8287
[2] Journal of the Chemical Society, Dalton Transactions, 2000, # 5, p. 713 - 718
[3] Journal of the Chemical Society, 1957, p. 3997,4000
[4] New Journal of Chemistry, 2004, vol. 28, # 6, p. 756 - 759

2
[ 123-54-6 ]
[ 4054-67-5 ]

Reference： [1] Chinese Journal of Chemistry, 2016, vol. 34, # 2, p. 191 - 195

[ 4054-67-5 ] Synthesis Path-Downstream 1~88

1
[ 5027-32-7 ]
[ 4054-67-5 ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 8280 - 8287
[2]Journal of the Chemical Society, Dalton Transactions,2000,p. 713 - 718
[3]Journal of the Chemical Society,1957,p. 3997,4000
[4]New Journal of Chemistry,2004,vol. 28,p. 756 - 759

2
[ 17118-70-6 ]
[ 4054-67-5 ]
[ 79815-70-6 ]

Reference： [1]Journal of Organic Chemistry,1982,vol. 47,p. 295 - 300

3
[ 50-00-0 ]
[ 4054-67-5 ]
[ 101161-39-1 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2535 - 2540

4
[ 4054-67-5 ]
[ 100-44-7 ]
[ 101161-33-5 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2535 - 2540

5
[ 4054-67-5 ]
[ 104-83-6 ]
[ 101161-42-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2535 - 2540

6
[ 4054-67-5 ]
[ 589-15-1 ]
[ 101161-36-8 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2535 - 2540

7
[ 4054-67-5 ]
[ 352-11-4 ]
[ 101161-35-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 2535 - 2540

8
[ 4054-67-5 ]
[ 64900-65-8 ]
C₂₄H₂₂Cl₂N₆O₆S₂ [ No CAS ]

Reference： [1]Chemistry of Heterocyclic Compounds,1994,vol. 30,p. 40 - 43
Khimiya Geterotsiklicheskikh Soedinenii,1994,p. 45 - 48

10
[ 4054-67-5 ]
[ 106-93-4 ]
1-(2-bromo-ethyl)-3,5,3',5'-tetramethyl-1<i>H</i>,1'<i>H</i>-[4,4']bipyrazolyl [ No CAS ]
[ 444805-65-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 5555 - 5567

11
[ 4054-67-5 ]
[ 444805-66-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 5555 - 5567

12
[ 4054-67-5 ]
C₂₂H₂₈N₆O₈^(4-)*4Na⁽¹⁺⁾ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 5555 - 5567

13
[ 4054-67-5 ]
copper(II) ion [ No CAS ]
[ 21983-65-3 ]
2(OC(CH₃)CHC(CH₃)NCH₂)2CHO^(3-)*4Cu⁽²⁺⁾*(C₃N₂(CH₃)2)2^(2-)*H₂O=Cu₄C₃₆H₅₀N₈O₆*H₂O [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1992,p. 1726 - 1729

14
[ 4054-67-5 ]
nickel(II) [ No CAS ]
[ 21983-65-3 ]
{((OC(CH₃)CHC(CH₃)NCH₂)2CHONi₂)2(C₃N₂(CH₃)2)2} [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1992,p. 1726 - 1729

15
[ 4054-67-5 ]
nickel(II) chloride hexahydrate [ No CAS ]
NiCl₂(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole)2*H₂O [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1984,vol. 81,p. 99 - 106

16
nickel(II) nitrate hexahydrate [ No CAS ]
[ 4054-67-5 ]
Ni(NO₃)2(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole)2*H₂O [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1984,vol. 81,p. 99 - 106

17
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 4054-67-5 ]
Co(NO₃)2(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole)2*H₂O [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1984,vol. 81,p. 99 - 106

18
[ 4054-67-5 ]
cobalt(II) chloride hexahydrate [ No CAS ]
CoCl₂(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole)*0.5H₂O [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1984,vol. 81,p. 99 - 106

19
[ 108-86-1 ]
[ 4054-67-5 ]
copper(II) tetrafluroborate hexahydrate [ No CAS ]
[ 7732-18-5 ]
Cu⁽²⁺⁾*2(C₃HN₂(CH₃)2)2*2BF₄^(1-)*H₂O*0.5C₆H₅Br=[Cu((C₃HN₂(CH₃)2)2)2(BF₄)2(H₂O)]*0.5C₆H₅Br [ No CAS ]

Reference： [1]Polyhedron,2001,vol. 20,p. 887 - 897

20
[ 4054-67-5 ]
copper(II) tetrafluroborate hexahydrate [ No CAS ]
[ 7732-18-5 ]
[ 77287-34-4 ]
Cu⁽²⁺⁾*2(C₃HN₂(CH₃)2)2*2HCOO^(1-)*H₂O*2.5HCONH₂=[Cu((C₃HN₂(CH₃)2)2)2(H₂O)](HCOO)2*2.5HCONH₂ [ No CAS ]

Reference： [1]Polyhedron,2001,vol. 20,p. 887 - 897

21
[ 67-56-1 ]
[ 4054-67-5 ]
silver nitrate [ No CAS ]
Ag⁽¹⁺⁾*(C₃HN₂(CH₃)2)2*NO₃^(1-)*CH₃OH=[Ag(C₃HN₂(CH₃)2)2](NO₃)*CH₃OH [ No CAS ]

Reference： [1]Polyhedron,2001,vol. 20,p. 887 - 897

22
copper(II) nitrate trihydrate [ No CAS ]
[ 4054-67-5 ]
N,N'-(2-hydroxypropane-1,3-diyl)bis(salicylaldimine) [ No CAS ]
[ 265311-21-5 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,2000,p. 713 - 718

23
[ 71-23-8 ]
[ 4054-67-5 ]
cadmium(II) nitrate tetrhydrate [ No CAS ]
Cd(3,3',5,5'-tetramethyl-4,4'-bipyrazole)2(NO₃)2 [ No CAS ]

Reference： [1]Polyhedron,2001,vol. 20,p. 887 - 897

24
[ 71-23-8 ]
[ 4054-67-5 ]
cadmium(II) nitrate tetrhydrate [ No CAS ]
Cd⁽²⁺⁾*(C₃HN₂(CH₃)2)2*2NO₃^(1-)*C₃H₇OH=[Cd(C₃HN₂(CH₃)2)2(NO₃)2(C₃H₇OH)] [ No CAS ]

Reference： [1]Polyhedron,2001,vol. 20,p. 887 - 897

25
[ 108-86-1 ]
[ 4054-67-5 ]
[ 6147-53-1 ]
[ 65-85-0 ]
Co⁽²⁺⁾*2((CH₃)2C₃HN₂)2*2C₆H₅COO^(1-)*2C₆H₅Br=[Co(((CH₃)2C₃HN₂)2)2(C₆H₅COO)2]*2C₆H₅Br [ No CAS ]
Co⁽²⁺⁾*((CH₃)2C₃HN₂)2*C₆H₅COO^(1-)*CH₃COO^(1-)*2C₆H₅Br=[Co((CH₃)2C₃HN₂)2(C₆H₅COO)(CH₃COO)]*2C₆H₅Br [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,2001,p. 893 - 897

26
[ 67-56-1 ]
[ 4054-67-5 ]
cadmium(II) nitrate tetrhydrate [ No CAS ]
Cd(3,3',5,5'-tetramethyl-4,4'-bipyrazole)2(NO₃)2 [ No CAS ]
Cd(3,3',5,5'-tetramethyl-4,4'-bipyrazole)2(NO₃)2*2MeOH [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2003,vol. 6,p. 769 - 772

27
nickel(II) nitrate hexahydrate [ No CAS ]
[ 4054-67-5 ]
nickel(II) sulfate heptahydrate [ No CAS ]
diaquatetra(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)-μ-sulfato-dinickel(II) dinitrate hydrate [ No CAS ]

Reference： [1]Chemical Communications,2002,p. 436 - 437

28
[ 67-56-1 ]
[ 4054-67-5 ]
nickel(II) sulfate heptahydrate [ No CAS ]
[ 67-66-3 ]
tetra(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)dithiocyanato-μ-sulfato-dinickel(II) methanol disolvate trichloromethane disolvate [ No CAS ]

Reference： [1]Chemical Communications,2002,p. 436 - 437

29
cobalt(II) sulphate heptahydrate [ No CAS ]
[ 4054-67-5 ]
cobalt(II) perchlorate hexahydrate [ No CAS ]
diaquatetra(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)-μ-sulfato-dicobalt(II) diperchlorate hydrate [ No CAS ]

Reference： [1]Chemical Communications,2002,p. 436 - 437

30
[ 67-56-1 ]
cobalt(II) sulphate heptahydrate [ No CAS ]
[ 4054-67-5 ]
Co⁽²⁺⁾*2SCN^(1-)*3H₂O=Co(SCN)2*3H₂O [ No CAS ]
[ 67-66-3 ]
tetra(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)-μ-sulfato-dithiocyanatodicobalt(II) methanol disolvate trichloromethane disolvate [ No CAS ]

Reference： [1]Chemical Communications,2002,p. 436 - 437

31
[ 4054-67-5 ]
copper(II) choride dihydrate [ No CAS ]
[Cu₃(C₂O₄)3(3,3',5,5'-Me₄-4,4'-bipyrazole)6]2[Cu₄(C₂O₄)4(3,3',5,5'-Me₄-4,4'-bipyrazole)4]2*3(3,3',5,5'-Me₄-4,4'-bipyrazole)*25H₂O [ No CAS ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,2004,vol. 630,p. 1413 - 1418

32
[ 4054-67-5 ]
[ 54822-51-4 ]
([(2,2'-bipyridine)Pt]8(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)4)(NO₃)8*12H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 9471 - 9488

33
[ 4054-67-5 ]
[ 113902-67-3 ]
([(1,10-phenanthroline)Pt]8(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)4)(NO₃)8*8H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 9471 - 9488

34
ammonium thiocyanate [ No CAS ]
[ 4054-67-5 ]
zinc(II) hexafluorosilicate hexahydrate [ No CAS ]
[Zn₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4SiF₆(NCS)2] [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2006,vol. 51,p. 1355 - 1362

35
ammonium thiocyanate [ No CAS ]
[ 67-56-1 ]
[ 4054-67-5 ]
cobalt(II) hexafluorosilicate hexahydrate [ No CAS ]
[ 67-66-3 ]
[Co₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4SiF₆(NCS)2]*3CHCl₃*CH₃OH [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2006,vol. 51,p. 1355 - 1362

36
ammonium thiocyanate [ No CAS ]
[ 67-56-1 ]
[ 4054-67-5 ]
cobalt(II) selenate hexahydrate [ No CAS ]
[ 67-66-3 ]
[Co₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4SeO₄(NCS)2]*2CHCl₃*2CH₃OH*2H₂O [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2006,vol. 51,p. 1355 - 1362

37
copper(II) nitrate trihydrate [ No CAS ]
[ 4054-67-5 ]
[Cu(3,3',5,5'-tetramethyl-4,4'-bipyrazolate)] [ No CAS ]

Reference： [1]Chemical Communications,2006,p. 2845 - 2847

38
[ 4054-67-5 ]
cadmium(II) hexafluorosilicate hexahydrate [ No CAS ]
cadmium(II) thiocyanate hexahydrate [ No CAS ]
[Cd₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4SiF₆(NCS)2] [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2006,vol. 51,p. 1355 - 1362

39
[ 4054-67-5 ]
[ 29089-56-3 ]
([(2,2'-bipyridine)Pd]8(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)4)(NO₃)8*4H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 9471 - 9488

40
[ 4054-67-5 ]
[ 31476-92-3 ]
([(1,10-phenanthroline)Pd]8(3,3',5,5'-tetramethyl-4,4'-bipyrazolyl)4)(NO₃)8*8H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 9471 - 9488

41
[ 4054-67-5 ]
[ 20667-12-3 ]
[Ag₂(3,3',5,5'-tetramethyl-4,4'-bipyrazolate)] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 907 - 917

42
[ 4054-67-5 ]
[ 20667-12-3 ]
[Ag₂(3,3',5,5'-tetramethyl-4,4'-bipyrazolate)] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 907 - 917

43
copper(I) oxide [ No CAS ]
[ 4054-67-5 ]
[Cu₂(3,3',5,5'-tetramethyl-4,4'-bipyrazolate)] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 907 - 917
[2]Journal of the American Chemical Society,2008,vol. 130,p. 907 - 917

44
copper(I) oxide [ No CAS ]
[ 4054-67-5 ]
[Cu₂(3,3',5,5'-tetramethyl-4,4'-bipyrazolate)] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2008,vol. 130,p. 907 - 917
[2]Journal of the American Chemical Society,2008,vol. 130,p. 907 - 917

45
zinc(II) nitrate hexahydrate [ No CAS ]
[ 4054-67-5 ]
[ 100-21-0 ]
[ 68-12-2 ]
[Zn₄O(1,4-benzenedicarboxylato)(3,3',5,5'-tetramethyl-4,4'-bipyrazolato)2]*4DMF*6H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2008,vol. 47,p. 1346 - 1351

46
zinc(II) sulfate heptahydrate [ No CAS ]
[ 100-26-5 ]
[ 4054-67-5 ]
[ 1174335-78-4 ]

Reference： [1]Inorganic Chemistry Communications,2008,vol. 11,p. 1094 - 1096

47
zinc(II) sulfate heptahydrate [ No CAS ]
[ 499-83-2 ]
[ 4054-67-5 ]
(3,3',5,5'-tetramethyl-4,4'-bipyrazole)bis(2,6-pyridinedicarboxylate)dizinc(II) [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2008,vol. 11,p. 1094 - 1096

48
[ 4054-67-5 ]
silver pyrophosphate [ No CAS ]
[Ag(3,3',5,5'-tetramethyl-4,4'-bipyrazole)1.5(H₂PO₄)](n) [ No CAS ]

Reference： [1]Journal of Solid State Chemistry,2008,vol. 181,p. 3322 - 3326

49
[ 4054-67-5 ]
[ 1111-67-7 ]
[ 7681-11-0 ]
[Cu(II)Cu(I)15I₁₇(3,3',5,5'-tetramethyl-4,4'-bipyrazole)6] [ No CAS ]

Reference： [1]Inorganic Chemistry,2008,vol. 47,p. 7948 - 7950

50
europium [ No CAS ]
[ 4054-67-5 ]
[Eu(3,3',5,5'-tetramethyl-4,4'-bipyrazole^(1-))3(3,3',5,5'-tetramethyl-4,4'-bipyrazole)]m [ No CAS ]

Reference： [1]Zeitschrift fur Anorganische und Allgemeine Chemie,2009,vol. 635,p. 2034 - 2038

51
[ 4054-67-5 ]
Cd(3,3',5,5'-tetramethyl-4,4'-bipyrazole)2(NO₃)2 [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2003,vol. 6,p. 769 - 772

52
[ 4054-67-5 ]
hexaammonium heptamolybdate tetrahydrate [ No CAS ]
[ 7732-18-5 ]
poly[bis(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole-2,2'-diium) γ-octamolybdate(VI) dihydrate] [ No CAS ]

Reference： [1]Acta Crystallographica, Section C: Crystal Structure Communications,2011,vol. 67,p. m378-m383

53
[ 4054-67-5 ]
α-dodecamolybdosilicic acid [ No CAS ]
[ 7732-18-5 ]
bis(3,3',5,5'-tetramethyl-4,4'-bi-1H-pyrazole-2,2'-diium)α-dodecamolybdo(VI)silicate tetrahydrate [ No CAS ]

Reference： [1]Acta Crystallographica, Section C: Crystal Structure Communications,2011,vol. 67,p. m378-m383

54
copper(ll) sulfate pentahydrate [ No CAS ]
[ 4054-67-5 ]
[ 7732-18-5 ]
molybdic acid [ No CAS ]
([Cu₁₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole-2H)12(H₂Mo₈O₂₈)1.5(Mo₈O₂₆)1.5]*3H₃O)n [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2012,vol. 15,p. 305 - 307

55
[ 4054-67-5 ]
[ 88-89-1 ]
[ 75-05-8 ]
C₂H₃N*2C₆H₃N₃O₇*2C₁₀H₁₄N₄ [ No CAS ]

Reference： [1]Supramolecular Chemistry,2012,vol. 24,p. 285 - 297

56
[ 4054-67-5 ]
manganese(II) acetate hydrate [ No CAS ]
[ 863305-32-2 ]
[ 1429897-59-5 ]

Yield	Reaction Conditions	Operation in experiment
76%	at 150℃; for 20.0h;	General procedure: ,3?,5,5?-Tetramethyl-4,4?-bipyrazole (Me4bpz) was synthesized according to literature methods [33], using acetyl acetone (Acros, 99+ %), sodium hydride (Acros, 60% dispersion in mineral oil), iodine (Sigma-Aldrich, 99.8%) as well as hydrazine hydrate (Merck, ca. 100%). Diethyl ether was dried with sodium/benzophenone and stored under nitrogen atmosphere. All other solvents were used as obtained. Diphenic acid (Acros, 99%) as well as the metal acetate hydrates were used as obtained from the distributors stated above. Metal acetate hydrates, diphenic acid and 3,3?,5,5?-tetramethyl-4,4?-bipyrazole were reacted under hydrothermal conditions (solvent volume: 5 ml) in amounts specified in Table 1 . The autoclaves of type 4749 (Parr, volume 23 ml, Teflon liner, Tmax = 250 C, pmax = 124 bar) were tempered using a drying oven ULE400 (Memmert) with RS232-interface and the control software CELSIUS2000 (Memmert). The reaction vessels were heated to 150 C within 10 h. After 20 h at 150 C the autoclaves were cooled to 25 C within 120 h with constant cooling rate. The generated crystalline solids were filtrated from the liquids and washed with 50 ml hot water and 50 ml hot methanol. Thereafter the products were dried at 120 C in a drying oven. All syntheses were performed at least two times to ensure reproducibility of the results.

Reference： [1]Inorganica Chimica Acta,2013,vol. 397,p. 60 - 68

57
[ 4054-67-5 ]
copper(II) acetate hydrate [ No CAS ]
[ 863305-32-2 ]
[Cu(diphenicate)(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)2]*2H2O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	at 150℃; for 20.0h;	General procedure: ,3?,5,5?-Tetramethyl-4,4?-bipyrazole (Me4bpz) was synthesized according to literature methods [33], using acetyl acetone (Acros, 99+ %), sodium hydride (Acros, 60% dispersion in mineral oil), iodine (Sigma-Aldrich, 99.8%) as well as hydrazine hydrate (Merck, ca. 100%). Diethyl ether was dried with sodium/benzophenone and stored under nitrogen atmosphere. All other solvents were used as obtained. Diphenic acid (Acros, 99%) as well as the metal acetate hydrates were used as obtained from the distributors stated above. Metal acetate hydrates, diphenic acid and 3,3?,5,5?-tetramethyl-4,4?-bipyrazole were reacted under hydrothermal conditions (solvent volume: 5 ml) in amounts specified in Table 1 . The autoclaves of type 4749 (Parr, volume 23 ml, Teflon liner, Tmax = 250 C, pmax = 124 bar) were tempered using a drying oven ULE400 (Memmert) with RS232-interface and the control software CELSIUS2000 (Memmert). The reaction vessels were heated to 150 C within 10 h. After 20 h at 150 C the autoclaves were cooled to 25 C within 120 h with constant cooling rate. The generated crystalline solids were filtrated from the liquids and washed with 50 ml hot water and 50 ml hot methanol. Thereafter the products were dried at 120 C in a drying oven. All syntheses were performed at least two times to ensure reproducibility of the results.

Reference： [1]Inorganica Chimica Acta,2013,vol. 397,p. 60 - 68

58
[ 4054-67-5 ]
Ag⁽¹⁺⁾*OC(O)CH₃^(1-)*99H₂O=Ag(OC(O)CH₃)*99H₂O [ No CAS ]
[ 863305-32-2 ]
[Ag2(acetate)2(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)3(H2O)1.56] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	at 150℃; for 20.0h;	General procedure: ,3?,5,5?-Tetramethyl-4,4?-bipyrazole (Me4bpz) was synthesized according to literature methods [33], using acetyl acetone (Acros, 99+ %), sodium hydride (Acros, 60% dispersion in mineral oil), iodine (Sigma-Aldrich, 99.8%) as well as hydrazine hydrate (Merck, ca. 100%). Diethyl ether was dried with sodium/benzophenone and stored under nitrogen atmosphere. All other solvents were used as obtained. Diphenic acid (Acros, 99%) as well as the metal acetate hydrates were used as obtained from the distributors stated above. Metal acetate hydrates, diphenic acid and 3,3?,5,5?-tetramethyl-4,4?-bipyrazole were reacted under hydrothermal conditions (solvent volume: 5 ml) in amounts specified in Table 1 . The autoclaves of type 4749 (Parr, volume 23 ml, Teflon liner, Tmax = 250 C, pmax = 124 bar) were tempered using a drying oven ULE400 (Memmert) with RS232-interface and the control software CELSIUS2000 (Memmert). The reaction vessels were heated to 150 C within 10 h. After 20 h at 150 C the autoclaves were cooled to 25 C within 120 h with constant cooling rate. The generated crystalline solids were filtrated from the liquids and washed with 50 ml hot water and 50 ml hot methanol. Thereafter the products were dried at 120 C in a drying oven. All syntheses were performed at least two times to ensure reproducibility of the results.

Reference： [1]Inorganica Chimica Acta,2013,vol. 397,p. 60 - 68

59
[ 4054-67-5 ]
zinc(II) acetate hydrate [ No CAS ]
[ 863305-32-2 ]
[Zn(diphenicate)(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)]*0.61H2O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
87%	at 150℃; for 20.0h;	General procedure: ,3?,5,5?-Tetramethyl-4,4?-bipyrazole (Me4bpz) was synthesized according to literature methods [33], using acetyl acetone (Acros, 99+ %), sodium hydride (Acros, 60% dispersion in mineral oil), iodine (Sigma-Aldrich, 99.8%) as well as hydrazine hydrate (Merck, ca. 100%). Diethyl ether was dried with sodium/benzophenone and stored under nitrogen atmosphere. All other solvents were used as obtained. Diphenic acid (Acros, 99%) as well as the metal acetate hydrates were used as obtained from the distributors stated above. Metal acetate hydrates, diphenic acid and 3,3?,5,5?-tetramethyl-4,4?-bipyrazole were reacted under hydrothermal conditions (solvent volume: 5 ml) in amounts specified in Table 1 . The autoclaves of type 4749 (Parr, volume 23 ml, Teflon liner, Tmax = 250 C, pmax = 124 bar) were tempered using a drying oven ULE400 (Memmert) with RS232-interface and the control software CELSIUS2000 (Memmert). The reaction vessels were heated to 150 C within 10 h. After 20 h at 150 C the autoclaves were cooled to 25 C within 120 h with constant cooling rate. The generated crystalline solids were filtrated from the liquids and washed with 50 ml hot water and 50 ml hot methanol. Thereafter the products were dried at 120 C in a drying oven. All syntheses were performed at least two times to ensure reproducibility of the results.

Reference： [1]Inorganica Chimica Acta,2013,vol. 397,p. 60 - 68

60
[ 4054-67-5 ]
cadmium(II) acetate hydrate [ No CAS ]
[ 863305-32-2 ]
[ 1429897-65-3 ]

Yield	Reaction Conditions	Operation in experiment
77%	at 150℃; for 20.0h;	General procedure: ,3?,5,5?-Tetramethyl-4,4?-bipyrazole (Me4bpz) was synthesized according to literature methods [33], using acetyl acetone (Acros, 99+ %), sodium hydride (Acros, 60% dispersion in mineral oil), iodine (Sigma-Aldrich, 99.8%) as well as hydrazine hydrate (Merck, ca. 100%). Diethyl ether was dried with sodium/benzophenone and stored under nitrogen atmosphere. All other solvents were used as obtained. Diphenic acid (Acros, 99%) as well as the metal acetate hydrates were used as obtained from the distributors stated above. Metal acetate hydrates, diphenic acid and 3,3?,5,5?-tetramethyl-4,4?-bipyrazole were reacted under hydrothermal conditions (solvent volume: 5 ml) in amounts specified in Table 1 . The autoclaves of type 4749 (Parr, volume 23 ml, Teflon liner, Tmax = 250 C, pmax = 124 bar) were tempered using a drying oven ULE400 (Memmert) with RS232-interface and the control software CELSIUS2000 (Memmert). The reaction vessels were heated to 150 C within 10 h. After 20 h at 150 C the autoclaves were cooled to 25 C within 120 h with constant cooling rate. The generated crystalline solids were filtrated from the liquids and washed with 50 ml hot water and 50 ml hot methanol. Thereafter the products were dried at 120 C in a drying oven. All syntheses were performed at least two times to ensure reproducibility of the results.

Reference： [1]Inorganica Chimica Acta,2013,vol. 397,p. 60 - 68

61
[ 4054-67-5 ]
aqueous cadmium chloride [ No CAS ]
[ 10351-75-4 ]
[Cd(3,3’,5,5’-tetramethyl-4,4’-bipyrazole(-2H))(benzimidazole-5,6-dicarboxylic acid(-H))2]n [ No CAS ]

Reference： [1]Dalton Transactions,2013,vol. 42,p. 10503 - 10509

62
[ 4054-67-5 ]
[ 6147-53-1 ]
[ 787-70-2 ]
[ 68-12-2 ]
[ 75-05-8 ]
[Co2(4,4′-biphenyldicarboxylate)1.5(3,3′,5,5′-tetramethyl-4,4′-bipyrazole(1-))]·DMF·CH3CN·H2O [ No CAS ]

Reference： [1]Dalton Transactions,2013,vol. 42,p. 6306 - 6309

63
[ 4054-67-5 ]
cadmium(II) hexafluorosilicate hexahydrate [ No CAS ]
[ 67-66-3 ]
[ 865-38-3 ]
[Cd₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)₄{SiF₆}{NCS}₂]*6CHCl₃ [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 8280 - 8287

64
[ 4054-67-5 ]
cadmium(II) hexafluorosilicate hexahydrate [ No CAS ]
[ 75-09-2 ]
[ 865-38-3 ]
[Cd₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)₄{SiF₆}{NCS}₂]*2CH₂Cl₂ [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 8280 - 8287

65
[ 4054-67-5 ]
cadmium(II) hexafluorosilicate hexahydrate [ No CAS ]
[ 75-09-2 ]
[Cd(Me₄bpz)₂{SiF₆}]*1.5CH₂Cl₂ [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 8280 - 8287

66
[ 4054-67-5 ]
cadmium(II) hexafluorosilicate hexahydrate [ No CAS ]
[ 7732-18-5 ]
[Cd(3,3',5,5'-tetramethyl-4,4'-bipyrazole)₂{SiF₆}]*6H₂O [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 8280 - 8287

67
[ 4054-67-5 ]
[ 75-09-2 ]
[ 865-38-3 ]
[Cd(Me₄bpz)₂{SiF₆}]*2/3CH₂Cl₂ [ No CAS ]

Reference： [1]CrystEngComm,2013,vol. 15,p. 8280 - 8287

68
zinc(II) nitrate hexahydrate [ No CAS ]
[ 4054-67-5 ]
[ 64-17-5 ]
[ 10312-55-7 ]
[Zn₄O-(3,3',5,5'-tetramethyl-4,4'-bipyrazole)₂(2-aminoterephthalic acid)]·H₂O·0.6EtOH [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 13429 - 13433
Angew. Chem.,2013,vol. 125,p. 13671 - 13675,5

69
silver(II) sulfate [ No CAS ]
[ 4054-67-5 ]
[Ag₄(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4(SO₄)2]*H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 14018 - 14027

70
silver(II) sulfate [ No CAS ]
[ 4054-67-5 ]
[Ag₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)2(SO₄)]*3H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 14018 - 14027

71
silver(II) sulfate [ No CAS ]
[ 4054-67-5 ]
[Ag₂(3,3',5,5'-tetramethyl-4,4'-bipyrazole)2(SO₄)]*3H₂O [ No CAS ]
[Ag₃(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4](SO₄)2/3(OH)5/3*4H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 14018 - 14027

72
silver(II) sulfate [ No CAS ]
[ 4054-67-5 ]
[Ag₃(3,3',5,5'-tetramethyl-4,4'-bipyrazole)4](SO₄)2/3(OH)5/3*4H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 14018 - 14027

73
[ 4054-67-5 ]
[ 6147-53-1 ]
[ 787-70-2 ]
[ 68-12-2 ]
[Co2(4,4′-biphenyldicarboxylicacid)2(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)]*2(DMF)*5(H2O) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
23.4%	In acetonitrile; at 140℃; for 72.0h;	A mixture of Co(CH3COO)2·4H2O (0.050 g, 0.20 mmol), H2bpdc (0.072 g, 0.30 mmol) and H2bpz (0.038 g, 0.20 mmol) in DMF (5 mL) and CH3CN (5 mL) was placed in a Teflon-lined stainless steel vessel (15 mL). The vessel was heated at 140 C for 72 h, then slowly cooled to room temperature. The purple crystals of 1 were isolated by filtrating, washing with DMF, and dried in vacuo. Yield: 24 mg (23.4%). Anal. Calcd for C44H54Co2N6O15: C, 51.57; H, 5.31; N, 8.20%. Found: C, 51.45; H, 5.17; N, 8.11%. IR (KBr, cm-1): 3426(vs), 2919(w), 1680(s), 1605(s), 1540(m), 1394(s), 1297(m), 1172(w), 1130(w), 851(m), 765(s).

Reference： [1]Journal of Solid State Chemistry,2014,vol. 210,p. 251 - 255

74
[ 108-77-0 ]
[ 4054-67-5 ]
[ 1542160-54-2 ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 2818 - 2824

75
[ 4054-67-5 ]
[(silver)2(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)4(malonate)] [ No CAS ]