[ CAS No. 19455-23-3 ] {[proInfo.proName]}

Name: 19455-23-3|Potassium pivalate|95%
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Quality Control of [ 19455-23-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 19455-23-3 ]

Product Details of [ 19455-23-3 ]

CAS No. :	19455-23-3	MDL No. :	MFCD00671345
Formula :	C₅H₉KO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WFMNHCSATCWAAQ-UHFFFAOYSA-M
M.W :	140.22	Pubchem ID :	23662159
Synonyms :

Calculated chemistry of [ 19455-23-3 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	25.72
TPSA :	40.13 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.11 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-3.57
Log Po/w (XLOGP3) :	1.47
Log Po/w (WLOGP) :	-0.22
Log Po/w (MLOGP) :	0.89
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	-0.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.57
Solubility :	3.78 mg/ml ; 0.0269 mol/l
Class :	Very soluble
Log S (Ali) :	-1.92
Solubility :	1.69 mg/ml ; 0.012 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.39
Solubility :	57.4 mg/ml ; 0.409 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.05

Safety of [ 19455-23-3 ]

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 [ 19455-23-3 ]

* 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.

Upstream synthesis route of [ 19455-23-3 ]
Downstream synthetic route of [ 19455-23-3 ]

[ 19455-23-3 ] Synthesis Path-Upstream 1~5

1
[ 74-97-5 ]
[ 19455-23-3 ]
[ 18997-19-8 ]

Reference： [1] Patent: EP406660, 1991, A1,
[2] Patent: EP406660, 1991, A1,
[3] Patent: EP406660, 1991, A1,

2
[ 75-98-9 ]
[ 19455-23-3 ]

Reference： [1] Journal of the American Chemical Society, 2015, vol. 137, # 41, p. 13272 - 13281
[2] Tetrahedron, 1993, vol. 49, # 46, p. 10643 - 10654
[3] Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 2018, vol. 44, # 8, p. 473 - 482[4] Koord. Khim., 2018, vol. 44, # 8, p. 473 - 482,10

3
[ 201230-82-2 ]
[ 865-47-4 ]
[ 19455-23-3 ]

Reference： [1] Helvetica Chimica Acta, 1987, vol. 70, p. 593 - 599

4
[ 144758-74-7 ]
[ 623-05-2 ]
[ 19455-23-3 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992, # 18, p. 2345 - 2354

5
[ 144965-59-3 ]
[ 623-05-2 ]
[ 19455-23-3 ]
[ 144965-64-0 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992, # 18, p. 2345 - 2354

[ 19455-23-3 ] Synthesis Path-Downstream 1~88

1
[ 39074-38-9 ]
[ 19455-23-3 ]
[ 40151-62-0 ]

Reference： [1]Patent: DE2134173,1973,
Chem.Abstr.,1973,vol. 78

2
[ 39074-64-1 ]
[ 19455-23-3 ]
[ 40151-71-1 ]

Reference： [1]Patent: DE2134173,1973,
Chem.Abstr.,1973,vol. 78

4
[ 16004-91-4 ]
[ 19455-23-3 ]
[ 55723-04-1 ]
[ 55723-01-8 ]

Reference： [1]Journal of Organic Chemistry,1982,vol. 47,p. 2517 - 2520

5
[ 2733-91-7 ]
[ 19455-23-3 ]
[ 135460-94-5 ]
[ 135460-93-4 ]

Reference： [1]Agricultural and Biological Chemistry,1991,vol. 55,p. 1349 - 1357

6
[ 2733-91-7 ]
[ 19455-23-3 ]
[ 135460-94-5 ]
[ 135460-95-6 ]

Reference： [1]Agricultural and Biological Chemistry,1991,vol. 55,p. 1349 - 1357

7
[ 201230-82-2 ]
[ 865-47-4 ]
[ 19455-23-3 ]

Reference： [1]Helvetica Chimica Acta,1987,vol. 70,p. 593 - 599

8
[ 30388-20-6 ]
[ 19455-23-3 ]
hexamethylguanidinium pivalate [ No CAS ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1986,vol. 35,p. 1191 - 1193
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1986,p. 1315 - 1317

9
[ 19455-23-3 ]
[ 186792-27-8 ]
methyl 9-hydroxy-10-pivaloyloxy-12-octadecenoate [ No CAS ]
methyl 12,13-epoxy-10-hydroxy-9-pivaloyloxy octadecanoate [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1994,vol. 67,p. 839 - 842
[2]Bulletin of the Chemical Society of Japan,1994,vol. 67,p. 839 - 842

10
[ 19455-23-3 ]
Methanesulfonic acid (2S,3R,4R)-4-(tert-butyl-dimethyl-silanyloxymethyl)-3,4-dimethyl-5-oxo-tetrahydro-furan-2-yl ester [ No CAS ]
[ 136409-73-9 ]
[ 136409-73-9 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 3381 - 3384

11
[ 19455-23-3 ]
2,2-dimethyl-4,5-epoxy-6-hepten-3-one [ No CAS ]
[ 153361-09-2 ]

Reference： [1]Tetrahedron,1993,vol. 49,p. 10643 - 10654

12
[ 144758-74-7 ]
[ 623-05-2 ]
[ 19455-23-3 ]
C₁₅H₂₀O₇P^(1-)*K⁽¹⁺⁾ [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1992,p. 2345 - 2354

13
[ 144965-59-3 ]
[ 623-05-2 ]
[ 19455-23-3 ]
[ 144965-64-0 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1992,p. 2345 - 2354

14
[ 19455-23-3 ]
[ 128100-67-4 ]
[ 62-53-3 ]
[ 6625-74-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 3225 - 3228

15
[ 19455-23-3 ]
[ 99-73-0 ]
[ 53756-57-3 ]

Reference： [1]Synthetic Communications,1986,vol. 16,p. 1777 - 1780

16
[ 75-98-9 ]
[ 19455-23-3 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In melt;	Potassium pivalate (KPiv) and Ba(Piv)2 were prepared by the smelting of the stoichiometric amounts of KOH or Ba(OH)2 and HPiv followed by washing the reaction product with hexane.

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 13272 - 13281
[2]Tetrahedron,1993,vol. 49,p. 10643 - 10654
[3]Russian Journal of Coordination Chemistry,2018,vol. 44,p. 473 - 482
Koord. Khim.,2018,vol. 44,p. 473 - 482,10

17
[ 19455-23-3 ]
2,2-dimethyl-4,5-epoxy-6-hepten-3-one [ No CAS ]
2,2-Dimethyl-propionic acid 2-bromo-2-[(2R,3R)-3-(2,2-dimethyl-propionyl)-oxiranyl]-ethyl ester [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1988,p. 294 - 296

18
[ 19455-23-3 ]
2,2-Dimethyl-propionic acid (E)-3-(3,3-dimethyl-2-oxo-butoxy)-allyl ester [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1988,p. 294 - 296

19
[ 19455-23-3 ]
2,2-Dimethyl-propionic acid (E)-4-oxo-but-2-enyl ester [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1988,p. 294 - 296

20
[ 70905-45-2 ]
[ 19455-23-3 ]
[ 103824-52-8 ]

Yield	Reaction Conditions	Operation in experiment
29.4 g (97%)	In dimethyl sulfoxide;	(a) 2-(Methoxymethoxy)-1,3-propanediyl Dipivalate A mixture of 1,3-dichloro-2-(methoxymethoxy)propane (17.3 g), <strong>[19455-23-3]potassium pivalate</strong> (56.1 g) and dry dimethylsulfoxide (400 ml) was stirred with heating at 70°C (internal temperature) for 18 hours. After standing at room temperature for four days, the mixture was filtered and the filtrate evaporated in vacuo . The residue was partitioned between water and ether and the aqueous phase extracted twice more with ether. The combined ethereal extracts were dried over sodium sulfate, filtered and evaporated to yield 29.4 g (97percent) of a pale yellow liquid, 2-(methoxymethoxy)-1,3-propanediyl dipivalate. The 1 and 1sup;3.cntnd.C NMR spectra were consistent with the desired structure.

Reference： [1]Patent: EP167385,1992,B1

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 1 Into a 1,000-ml reaction flask equipped with a reflux condenser, a thermometer and a stirrer were added 646.9 g (5 moles) of bromochloromethane, 32.6 g (0.5 mole) of 86percent potassium hydroxide and 51.1 g (0.5 mole) of pivalic acid to form potassium pivalate. In this case, since water was formed in a corresponding amount, it was removed by azeotropy with bromochloromethane.

22
[ 74-97-5 ]
[ 19455-23-3 ]
[ 18997-19-8 ]

Yield	Reaction Conditions	Operation in experiment
21%	In N,N-dimethyl-formamide;	Example 4 (Pivaloyloxymethyl) To a stirred mixture of DMF (7.56 g: 2.1 parts by weight) and <strong>[19455-23-3]potassium pivalate</strong> (3.6 g: 26 millimole) is added bromochloromethane (99 g: 30 equivalents) and the mixture is kept at room temperature for 96 hours. The reaction mixture is washed with water, dried, and distilled at atmospheric pressure to give chloromethyl pivalate (1.74 g: Yield 45 percent) and dipivaloyloxymethane (0.57 g: Yield 21 percent). NMR (CDCl3): 1.25 (s, 9H), 5.72 (s, 2H).
15%	In N,N-dimethyl-formamide;	Example 3 (Pivaloyloxymethyl) To a stirred mixture of DMF (28.4 g: 2.8 parts by weight) and <strong>[19455-23-3]potassium pivalate</strong> (10 g: 71 millimole) is added bromochloromethane (184.5 g: 20 equivalents) and the mixture is kept at room temperature for 72 hours. The reaction mixture is washed with water, dried, and distilled at atmospheric pressure to collect the part boiling at 146 to 148°C to give chloromethyl pivalate (6.26 g: Yield 59 percent) and dipivaloyloxymethane (1.14 g: Yield 15 percent). NMR (CDCl3): 1.25 (s, 9H), 5.72 (s, 2H).
14%	In N,N-dimethyl-formamide;	Example 5 (Pivaloyloxymethyl) To a stirred mixture of DMF (2.3 g: 2 parts by weight) and <strong>[19455-23-3]potassium pivalate</strong> (1.2 g: 9 millimole) is added bromochloromethane (55 g: 50 equivalents) and the mixture is kept at 0°C for 40 hours. The reaction mixture is washed with water, dried, and distilled at atmospheric pressure to give chloromethyl pivalate (0.3 g: Yield 23 percent) and dipivaloyloxymethane (0.13 g: Yield 14 percent). NMR (CDCl3): 1.25 (s,9H), 5.72 (s,2H).

Reference： [1]Patent: EP406660,1991,A1
[2]Patent: EP406660,1991,A1
[3]Patent: EP406660,1991,A1

23
[ 33295-37-3 ]
[ 19455-23-3 ]
[ 72681-59-5 ]

Reference： [1]Tetrahedron,2008,vol. 64,p. 6090 - 6102

24
chromium(III) nitrate [ No CAS ]
[ 19455-23-3 ]
hydroxochromium(III) pivalate [ No CAS ]

Reference： [1]Doklady Chemistry,1989,vol. 307,p. 195 - 197
Dokl. Chem. (Transl. of Dokl. Akad. Nauk),1989,p. 118 - 120

25
[ 50284-10-1 ]
[ 19455-23-3 ]
Mo₂(S₂COC(CH₃)3)4 [ No CAS ]
Mo₂(S₂COC₂H₅)5^(1-) [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1981,vol. 49,p. 107 - 114

26
[ 366-18-7 ]
nickel(II) chloride hexahydrate [ No CAS ]
[ 2923-28-6 ]
[ 19455-23-3 ]
hexaaqua nickel(II) trifluoromethanesulphonate [ No CAS ]
[Ni((C₅H₄N)2)2(H₂O)(OOCC(CH₃)3)]⁽¹⁺⁾*Cl^(1-)*H₂O=[Ni((C₅H₄N)2)2(H₂O)(OOCC(CH₃)3)]Cl*H₂O [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2000,vol. 45,p. 710 - 717

27
chromium(III) nitrate nonahydrate [ No CAS ]
[ 7732-18-5 ]
[ 19455-23-3 ]
Cr₁₂O₉(OH)3[O₂CC(CH₃)3]15 [ No CAS ]

Reference： [1]Chemical Communications,1999,p. 643 - 644

28
[ 19455-23-3 ]
silver nitrate [ No CAS ]
silver(I) pivalate [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2000,vol. 45,p. 1852 - 1856

29
[ 66-71-7 ]
[ 19455-23-3 ]
praseodymium(III) nitrate [ No CAS ]
[ 174320-89-9 ]

Reference： [1]Russian Journal of Coordination Chemistry,1995,vol. 21,p. 906 - 910
Koordinatsionnaya Khimiya,1995,vol. 21,p. 944 - 948

30
nickel(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
[Ni9(HOOCCMe3)4(μ4-O)3(μ3-OH)3(μ-O,O-OOCCMe3)(μ-O,O'-OOCCMe3)7(μ3-O,O,O'-OOCCMe3)3(μ4-O,O,O',O'-OOCCMe3)] [ No CAS ]

Reference： [1]Russian Chemical Bulletin,1998,vol. 47,p. 704 - 718
Izvestiya Akademi Nauk, Seriya Khimicheskaya,1998,vol. 47,p. 725 - 738

31
nickel(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
Ni₉((CH₃)3CCOOH)4(OH)6((CH₃)3CCOO)12 [ No CAS ]

Reference： [1]Inorganica Chimica Acta,2002,vol. 334,p. 334 - 342

32
cobalt(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
cobalt basic carbonate [ No CAS ]

Reference： [1]Russian Chemical Bulletin,1999,vol. 48,p. 1751 - 1756

33
[ 12150-46-8 ]
dichlorobis(dimethyl sulfoxide)platinum(II) [ No CAS ]
[ 7732-18-5 ]
[ 19455-23-3 ]
silver nitrate [ No CAS ]
[Pt(O₂C₂Me₃)2(1,1'-bis(diphenylphosphino)ferrocene)]*2H₂O [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,2003,vol. 678,p. 48 - 55

34
[ 104413-90-3 ]
[ 7732-18-5 ]
[ 19455-23-3 ]
[Pt(O₂C₂Me₃)2(1,1'-bis(diphenylphosphino)ferrocene)]*2H₂O [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,2003,vol. 678,p. 48 - 55

35
Zr₂(OCH(CH₃)2)8(HOCH(CH₃)2)2 [ No CAS ]
[ 10024-93-8 ]
[ 19455-23-3 ]
[(Zr₂(OC₃H₇)9)2Nd₂Cl₂(O₂CC(CH₃)3)2]*2C₄H₈O [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1997,p. 4503 - 4508

36
cobalt(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
[ 75-98-9 ]
[ 515845-83-7 ]

Reference： [1]Russian Journal of Inorganic Chemistry,2003,vol. 48,p. 1505 - 1512

37
manganese(II) chloride tetrahydrate [ No CAS ]
[ 64-17-5 ]
[ 19455-23-3 ]
[ 852396-79-3 ]

Reference： [1]Inorganic Chemistry Communications,2005,vol. 8,p. 89 - 93

38
[ 583-61-9 ]
ferrous(II) sulfate heptahydrate [ No CAS ]
[ 19455-23-3 ]
[ 792953-27-6 ]

Reference： [1]Russian Chemical Bulletin,2004,vol. 53,p. 483 - 485

39
ferrous(II) sulfate heptahydrate [ No CAS ]
[ 19455-23-3 ]
[ 75-05-8 ]
[ 75-98-9 ]
K[Fe3(μ3-OH)(pivalate)6(pivalic acid)3]*3pivalic acid*acetonitrile [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2004,vol. 7,p. 734 - 736

40
cobalt(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
Co6(μ3-OH)2((CH3)3CCOO)10((CH3)CCOOH)4 [ No CAS ]
[ 515845-83-7 ]

Reference： [1]Russian Chemical Bulletin,2003,vol. 52,p. 2105 - 2116

41
copper(II) nitrate trihydrate [ No CAS ]
[ 19455-23-3 ]
[ 36175-37-8 ]
[Cu4(μ3-OH)2(μ-4-tert-butyl-1,2,4-triazole)2(μ-pivalato)(pivalato)4]*4H2O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 8011 - 8022

42
[ 3530-15-2 ]
nickel(II) chloride hexahydrate [ No CAS ]
[ 7732-18-5 ]
[ 19455-23-3 ]
[Ni2(μ-H2O)(μ-4-amino-3,5-dimethyl-1,2,4-triazole)2(pivalate)4(H2O)2]*13H2O [ No CAS ]

Reference： [1]Polyhedron,2006,vol. 25,p. 2426 - 2432

43
[ 6285-28-5 ]
nickel(II) chloride hexahydrate [ No CAS ]
[ 7732-18-5 ]
[ 19455-23-3 ]
[Ni2(μ-H2O)(μ-4-amino-3,5-diethyl-1,2,4-triazole)2(pivalate)4]*3H2O [ No CAS ]

Reference： [1]Polyhedron,2006,vol. 25,p. 2426 - 2432

44
nickel(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
[Ni₇(OH)7(trimethylacetate)7(trimethylacetic acid)6(water)]*0.5hexane*0.5water [ No CAS ]
[Ni₂(μ-OH₂)(μ-trimethylacetate)₂(trimethylacetate)₂(trimethylacetic acid)₄] [ No CAS ]
Ni6(μ4-OH)2(μ3-OH)2(μ2-trimethylacetate-O,O')6(μ2-(CH3)3CCOO-O,O)(μ4-(CH3)3CCOO-O,O,O',O')(trimethylacetic acid)4 [ No CAS ]
[Ni₈(OH)4(trimethylacetate)12(water)2] [ No CAS ]
[Ni₉(OH)6(trimethylacetate)12(trimethylacetic acid)4]*trimethylacetic acid*3water [ No CAS ]

Reference： [1]Inorganic Chemistry,2006,vol. 45,p. 5338 - 5350

45
[ 109-99-9 ]
[ 67-56-1 ]
iron(II) chloride tetrahydrate [ No CAS ]
[ 19455-23-3 ]
μ3-oxohexakis(μ2-trimethylacetato-O,O')tris(tetrahydrofuran)triiron(III) tetrachloroferrate(III) monotetrahydrofuran solvate [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2005,vol. 54,p. 811 - 813

46
iron(III) chloride hexahydrate [ No CAS ]
[ 64-17-5 ]
[ 7732-18-5 ]
[ 19455-23-3 ]
oxotris(η1-aquo)hexakis(μ2-trimethylacetato-O,O)triiron(III) trimethylacetate-ethanol(1/3) [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2004,vol. 53,p. 2508 - 2518

47
ferrous(II) sulfate heptahydrate [ No CAS ]
[ 64-17-5 ]
[ 7732-18-5 ]
[ 19455-23-3 ]
oxotris(η1-aquo)hexakis(μ2-trimethylacetato-O,O)triiron(III) trimethylacetate-ethanol(1/3) [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2004,vol. 53,p. 2508 - 2518

48
ferrous(II) sulfate heptahydrate [ No CAS ]
[ 7732-18-5 ]
[ 19455-23-3 ]
[ 75-98-9 ]
bis(μ3-oxo)hexakis(μ3-trimethylacetato-O,O,O)tetrakis(μ2-trimethylacetato-O,O')bis(η1-aquo)bis(η1-trimethylacetic acid)dipotassiumtetrairon(III) [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2004,vol. 53,p. 2508 - 2518

49
manganese(II) chloride tetrahydrate [ No CAS ]
[ 19455-23-3 ]
[ 75-05-8 ]
HOOCC(CH₃)3*H₂O*5Mn⁽²⁺⁾*Cl^(1-)*OH^(1-)*8OOCC(CH₃)3^(1-)*2CH₃CN=(CH₃CN)(HOOCC(CH₃)3)(H₂O)Mn₅Cl(OH)(OOCC(CH₃)3)8*CH₃CN [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2006,vol. 55,p. 806 - 820

50
[ 109-99-9 ]
ferrous(II) sulfate heptahydrate [ No CAS ]
[ 19455-23-3 ]
[ 71-43-2 ]
bis(μ3-oxo)bis(μ2-hydroxo)dodecakis(μ2-trimethylacetato-O,O')(,eta.1-tetrahydrofuran)(trimethylacetic acid)hexairon(III)-benzene(1/1.5) [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2004,vol. 53,p. 2508 - 2518

51
[ 584-13-4 ]
[ 67-56-1 ]
copper(II) nitrate trihydrate [ No CAS ]
[ 19455-23-3 ]
[Cu4(μ3-OH)2(μ-4-amino-1,2,4-triazole)2(pivalato)6]*2MeOH*H2O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 8011 - 8022

52
[ 3530-15-2 ]
copper(II) nitrate trihydrate [ No CAS ]
[ 19455-23-3 ]
[Cu4(μ3-O)2(μ-4-amino-3,5-dimethyl-1,2,4-triazole)4(4-amino-3,5-dimethyl-1,2,4-triazole)2(μ-pivalato)2(pivalato)2]*2[Cu2(.mu-H2O)(μ-4-amino-3,5-dimethyl-1,2,4-triazole)(pivalato)4]*13H2O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 8011 - 8022

53
[ 6285-28-5 ]
copper(II) nitrate trihydrate [ No CAS ]
[ 19455-23-3 ]
[Cu3(μ3-OH)(μ-4-amino-3,5-diethyl-1,2,4-triazole)2(pivalato)5(H2O)]*6.5H2O [ No CAS ]

Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 8011 - 8022

54
copper(II) choride dihydrate [ No CAS ]
[ 64-17-5 ]
[ 19455-23-3 ]
6K⁽¹⁺⁾*2Cu⁽²⁺⁾*10(CH₃)3CCOO^(1-)*3(CH₃)3CCOOH*C₂H₅OH=(K₆Cu₂((CH₃)3CCOO)10((CH₃)3CCOOH)3(C₂H₅OH)) [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2006,vol. 55,p. 1933 - 1945

55
[Yb(4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13-pentaoxatridecamethylene)phthalocyaninato)2]^(1-) [ No CAS ]
[ 19455-23-3 ]
[[Lu(4,5,4',5',4'',5'',4''',5'''-tetrakis(1,4,7,10,13-pentaoxatridecamethylene)phthalocyaninato)2]^(1-)*4(potassium pivalate)](n) [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2007,vol. 52,p. 543 - 550

56
[ 19455-23-3 ]
[ 7646-79-9 ]
catena-(bis[μ3-(2,2-dimethylpropionato-O,O,O')][μ2-(2,2-dimethypropionato-O,O')]potassiumbis[μ3-(2,2-dimethylpropionato-O,O,O')]bis[μ2-(2,2-dimethylpropionato-O,O')]aqua(μ2-aqua)dipotassiumdicobalt(II)) [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2006,vol. 55,p. 1933 - 1945

57
[ 366-18-7 ]
gadolinium(III) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
(Bipy)2Gd2(μ-O,η2-trimethylacetate)2(η2-trimethylacetate)2(μ2-O,O'-trimethylacetate)2 [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2009,vol. 54,p. 668 - 685

58
[ 66-71-7 ]
gadolinium(III) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
(Phen)2Gd2(μ-O,η2-trimethylacetate)2(η2-trimethylacetate)2(μ2-O,O'-trimethylacetate)2 [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2009,vol. 54,p. 668 - 685

59
[ 366-18-7 ]
erbium(III) nitrate pentahydrate [ No CAS ]
[ 19455-23-3 ]
(Bipy)2Er2(μ-O,η2-trimethylacetate)2(η2-trimethylacetate)2(μ2-O,O'-trimethylacetate)2 [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2009,vol. 54,p. 668 - 685

60
[ 66-71-7 ]
erbium(III) nitrate pentahydrate [ No CAS ]
[ 19455-23-3 ]
(Phen)2Er2(μ-O,η2-trimethylacetate)2(η2-trimethylacetate)2(μ2-O,O'-trimethylacetate)2 [ No CAS ]

Reference： [1]Russian Journal of Inorganic Chemistry,2009,vol. 54,p. 668 - 685

61
nickel(II) chloride hexahydrate [ No CAS ]
[ 64-17-5 ]
[ 19455-23-3 ]
catena[tetrakis[μ3-(2,2-dimethylpropionato-O,O,O')]bis(μ2-2,2-dimethylpropionato-O,O')di(μ3-hydroxo)tri(ethanol)tetranickel(II)(2,2-dimethylpropionato-O)potassium] [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2008,vol. 57,p. 1198 - 1205

62
[ 109-99-9 ]
cerium(IV) ammonium nitrate [ No CAS ]
manganese(II) chloride tetrahydrate [ No CAS ]
[ 75-09-2 ]
[ 19455-23-3 ]
[Ce(III)Mn(III)11O9Cl(μ3-Cl)2(2,2-dimethylpropionato)15(water)]*CH2Cl2 [ No CAS ]
[CeMn8(μ3-O)8(2,2-dimethylpropionato)12(2,2-dimethylpropionic acid)2(tetrahydrofuran)2] [ No CAS ]
bis[μ2-2,2-dimethylpropionato-κ2O,O':κO]deca[μ2-2,2-dimethylpropionato-κ2O,O']tri(μ3-hydroxo)di(μ4-oxo)tri(μ3-oxo)di(μ3-chloro)tris(tetrahydrofuran)tricerium(III)hexamanganese(III)-tetrahydrofuran (1/2) [ No CAS ]
[Ce3Mn8(μ4-O)4(μ3-O)4Cl2(2,2-dimethylpropionato)16(2,2-dimethylpropionic acid)2]*C7H16 [ No CAS ]
[Ce₁₀Mn₄O₆Cl₂(hydroxide)12(2,2-dimethylpropionato)16(tetrahydrofuran)2]*2tetrahydrofuran*2water [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2009,vol. 58,p. 1 - 10

63
[ 109-99-9 ]
manganese(II) chloride tetrahydrate [ No CAS ]
[ 19455-23-3 ]
[Mn(III)2Mn(II)4O₂(2,2-dimethylpropionate)10(tetrahydrofuran)4] [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2009,vol. 58,p. 1 - 10

64
[ 7787-60-2 ]
[ 19455-23-3 ]
Bi(O₂CtBu)3 [ No CAS ]

Reference： [1]Dalton Transactions,2010,vol. 39,p. 3219 - 3226

65
[ 52462-29-0 ]
[ 19455-23-3 ]
[ruthenium(II)(pivate)2(p-cymene)]2 [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2010,vol. 49,p. 6629 - 6632

66
bis(hexafluoroacetylacetonato)cobalt(II)*2H₂O [ No CAS ]
[ 19455-23-3 ]
[ 67-64-1 ]
tetraacetone[μ4-(2,2-dimethylpropionato-O,O,O',O')]tetrakis-(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)dicobalt(II)dipotassium [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2010,vol. 59,p. 1152 - 1161

67
nickel(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
[Nipivalate₃] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In water; at 20℃; for 0.0166667h;	An aqueous solution (2ml) of KPiv (4.125g, 30mmol) was added to a solution of NiCl2·6H2O (3.5g, 15mmol) in H2O (3ml) at room temperature. A finely disperse light green precipitate immediately formed as a suspension throughout the whole volume of the solution. After the mixture was stirred for 1min, it quickly thickened and transformed into a powder. The powder started to release water in a few seconds. After 2?3min, hexane (15ml), ethylacetate (25ml) and 40percent aqueous [N(C4H9)4]OH (5ml) were added to the resulting wet paste. The reaction mixture was heated to 50° and stirred for 5min. In the aqueous phase, the precipitate vanished, while the organic layer acquired a deep green color. The organic phase was separated and evaporated to ?15ml. The resulting transparent solution was stored at room temperature in an open flask for a few days. After 2 or 3days, bright yellow crystals suitable for an X-ray study formed in the reaction mixture. The crystals were filtered off and washed with ethylacetate. Yield 42percent.

Reference： [1]Polyhedron,2013,vol. 62,p. 274 - 277

68
[ 19455-23-3 ]
[ 151593-08-7 ]
[ 769931-79-5 ]
C₁₇H₂₈O₇ [ No CAS ]

Reference： [1]Canadian Journal of Chemistry,2013,vol. 91,p. 1179 - 1185

69
[ 19455-23-3 ]
[ 151593-08-7 ]
[ 769931-79-5 ]
C₁₇H₂₈O₇ [ No CAS ]
(1R,2S,3R,4S,5R,6R)-4,5-isopropylidenedioxy-1,6-epoxycyclohexane-2,3-diol [ No CAS ]

Reference： [1]Canadian Journal of Chemistry,2013,vol. 91,p. 1179 - 1185

70
cobalt(II) chloride hexahydrate [ No CAS ]
[ 2052-49-5 ]
[ 7732-18-5 ]
[ 19455-23-3 ]
NBu₄[CoPiv₃] [ No CAS ]
(NBu₄)₂[Co₄Piv₈(AcO)₂(H₂O)₄] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%		General procedure: An aqueous solution (2ml) of KPiv (2.1g, 15mmol) was added to the solution of CoCl2·6H2O (1.7g, 7mmol) in H2O (3ml) at room temperature. After the solutions were mixed, a finely disperse rose-colored precipitate suspended over the entire volume formed in the reaction mixture. After being stirred for 1 or 2min, the reaction mixture quickly solidified into powder. In a few seconds, the powder started to release water. After 2 or 3min, hexane (10ml), ethyl acetate (15ml), and 40percent aqueous NBu4OH (5ml) were added to the resulting wet paste. The reaction mixture was warmed to 50° and stirred for 5min. In the aqueous phase, the precipitate vanished and the organic layer acquired deep blue coloring. The organic phase was separated, filtered, and kept in an open flask at room temperature for a few days. After 2 or 3days, light lilac needle crystals suitable for an XRD study formed in the reaction mixture. The crystals were filtered off and washed with cold ethyl acetate. Yield 30percent. Anal. Calc. for C31H63CoNO6: C, 61.6; H, 10.5; N, 2.3. Found: C, 61.9; H, 10.4; N, 2.6percent. NBu4[MnPiv3] (colorless needle crystals) and NBu4[CuPiv3] (light blue needle crystals) were prepared by a similar procedure. Anal. Calc. for C31H63NMnO6: C, 62.0; H, 10.5; N, 2.4. Found: C, 62.5; H, 10.3; N, 2.8percent. Anal. Calc. for C31H63CuNO6: C, 61.1; H, 10.4; N, 2.3. Found: C, 61.2; H, 10.3; N, 2.4percent.

Reference： [1]Polyhedron,2014,vol. 81,p. 27 - 31

71
copper(II) chloride hexahydrate [ No CAS ]
[ 2052-49-5 ]
[ 7732-18-5 ]
[ 19455-23-3 ]
NBu₄[CuPiv₃] [ No CAS ]
4Cu⁽²⁺⁾*2C₁₆H₃₆N⁽¹⁺⁾*8C₅H₉O₂^(1-)*2C₂H₃O₂^(1-)*2H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: An aqueous solution (2ml) of KPiv (2.1g, 15mmol) was added to the solution of CoCl2·6H2O (1.7g, 7mmol) in H2O (3ml) at room temperature. After the solutions were mixed, a finely disperse rose-colored precipitate suspended over the entire volume formed in the reaction mixture. After being stirred for 1 or 2min, the reaction mixture quickly solidified into powder. In a few seconds, the powder started to release water. After 2 or 3min, hexane (10ml), ethyl acetate (15ml), and 40percent aqueous NBu4OH (5ml) were added to the resulting wet paste. The reaction mixture was warmed to 50° and stirred for 5min. In the aqueous phase, the precipitate vanished and the organic layer acquired deep blue coloring. The organic phase was separated, filtered, and kept in an open flask at room temperature for a few days. After 2 or 3days, light lilac needle crystals suitable for an XRD study formed in the reaction mixture. The crystals were filtered off and washed with cold ethyl acetate. Yield 30percent. Anal. Calc. for C31H63CoNO6: C, 61.6; H, 10.5; N, 2.3. Found: C, 61.9; H, 10.4; N, 2.6percent. NBu4[MnPiv3] (colorless needle crystals) and NBu4[CuPiv3] (light blue needle crystals) were prepared by a similar procedure. Anal. Calc. for C31H63NMnO6: C, 62.0; H, 10.5; N, 2.4. Found: C, 62.5; H, 10.3; N, 2.8percent. Anal. Calc. for C31H63CuNO6: C, 61.1; H, 10.4; N, 2.3. Found: C, 61.2; H, 10.3; N, 2.4percent.

Reference： [1]Polyhedron,2014,vol. 81,p. 27 - 31

72
manganese(II) chloride hexahydrate [ No CAS ]
[ 2052-49-5 ]
[ 19455-23-3 ]
NBu₄[MnPiv₃] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: An aqueous solution (2ml) of KPiv (2.1g, 15mmol) was added to the solution of CoCl2·6H2O (1.7g, 7mmol) in H2O (3ml) at room temperature. After the solutions were mixed, a finely disperse rose-colored precipitate suspended over the entire volume formed in the reaction mixture. After being stirred for 1 or 2min, the reaction mixture quickly solidified into powder. In a few seconds, the powder started to release water. After 2 or 3min, hexane (10ml), ethyl acetate (15ml), and 40percent aqueous NBu4OH (5ml) were added to the resulting wet paste. The reaction mixture was warmed to 50° and stirred for 5min. In the aqueous phase, the precipitate vanished and the organic layer acquired deep blue coloring. The organic phase was separated, filtered, and kept in an open flask at room temperature for a few days. After 2 or 3days, light lilac needle crystals suitable for an XRD study formed in the reaction mixture. The crystals were filtered off and washed with cold ethyl acetate. Yield 30percent. Anal. Calc. for C31H63CoNO6: C, 61.6; H, 10.5; N, 2.3. Found: C, 61.9; H, 10.4; N, 2.6percent. NBu4[MnPiv3] (colorless needle crystals) and NBu4[CuPiv3] (light blue needle crystals) were prepared by a similar procedure. Anal. Calc. for C31H63NMnO6: C, 62.0; H, 10.5; N, 2.4. Found: C, 62.5; H, 10.3; N, 2.8percent. Anal. Calc. for C31H63CuNO6: C, 61.1; H, 10.4; N, 2.3. Found: C, 61.2; H, 10.3; N, 2.4percent.

Reference： [1]Polyhedron,2014,vol. 81,p. 27 - 31

73
nickel(II) chloride hexahydrate [ No CAS ]
[ 19455-23-3 ]
[Ni₉(OH)₆(trimethylacetate)₁₂(trimethylacetic acid)₄] [ No CAS ]

Reference： [1]Russian Chemical Bulletin,2014,vol. 63,p. 1301 - 1307
Izv. Akad. Nauk, Ser. Khim.,2014,vol. 63,p. 1301 - 1307,7

74
C₅₂H₈₀Br₂N₂O₄ [ No CAS ]
[ 492-97-7 ]
[ 19455-23-3 ]
C₆₈H₉₀N₂O₄S₄ [ No CAS ]
C₆₅H₉₄N₂O₆S₂ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 6705 - 6711

75
C₅₂H₈₁BrN₂O₄ [ No CAS ]
[ 19455-23-3 ]
NDI-pivaloate [ No CAS ]
C₅₂H₈₂N₂O₅ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 6705 - 6711

76
C₄₈H₄₃BrN₂O₆P₂Pd [ No CAS ]
[ 19455-23-3 ]
C₅₃H₅₂N₂O₈P₂Pd [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 13272 - 13281

77
[ 900493-31-4 ]
[ 19455-23-3 ]
C₂₂H₂₈O₄Ru [ No CAS ]

Reference： [1]Inorganic Chemistry,2016,vol. 55,p. 6739 - 6749

78
[ 19455-23-3 ]
[ 123133-75-5 ]

Yield	Reaction Conditions	Operation in experiment
	With magnesium(II) nitrate hexahydrate; In acetonitrile; at 60℃;	2,4-Lutidine (0.034 g, 0.318 mmol) was added to a solution of [Cd(piv)2] (0.100 g, 0.318 mmol) in MeCN (15 mL). In a separate flask, Kpiv (0.044 g, 0.318 mmol) in MeCN (15 mL) was added to Mg(NO3)2?6H2O (0.041 g, 0.159 mmol). Both reaction mixtures were stirred at 60 °C to homogenization, pooled, and stirred again at the same temperature for 30 min. The solution was filtered to remove a white precipitate (KNO3) and left for slowe vaporation in air at 20 °C. After 24 h, complex 1 was isolated as colorless crystals suitable for X-ray diffraction, washed with cold (?5 °C) MeCN, and dried in vacuo.

Reference： [1]Russian Chemical Bulletin,2016,vol. 65,p. 181 - 190
Izv. Akad. Nauk, Ser. Khim.,2016,p. 181 - 190,10

79
[ 19455-23-3 ]
[ 112028-61-2 ]

Yield	Reaction Conditions	Operation in experiment
	With calcium nitrate hexahydrate; In acetonitrile; at 60℃;	General procedure: 2,4-Lutidine (0.034 g, 0.318 mmol) was added to a solution of [Cd(piv)2] (0.100 g, 0.318 mmol) in MeCN (15 mL). In a separate flask, Kpiv (0.044 g, 0.318 mmol) in MeCN (15 mL) was added to Mg(NO3)2?6H2O (0.041 g, 0.159 mmol). Both reaction mixtures were stirred at 60 °C to homogenization, pooled, and stirred again at the same temperature for 30 min. The solution was filtered to remove a white precipitate (KNO3) and left for slowe vaporation in air at 20 °C. After 24 h, complex 1 was isolated as colorless crystals suitable for X-ray diffraction, washed with cold (?5 °C) MeCN, and dried in vacuo. [CaCd2(mu-piv-kappa2O,O')2(mu-piv-kappa3O,O,O')4(lut)2] was obtained as described above for complex 1, with Ca(NO3)2?6H2O (0.026 g, 0.159 mmol) as a Ca2+ source. Evaporation of the mother liquor for 24 h produced complex 2 as colorless crystals suitable for X-ray diffraction.

Reference： [1]Russian Chemical Bulletin,2016,vol. 65,p. 181 - 190
Izv. Akad. Nauk, Ser. Khim.,2016,p. 181 - 190,10

80
[ 19455-23-3 ]
[ 123133-82-4 ]

Yield	Reaction Conditions	Operation in experiment
	With strontium nitrate hexahydrate; In acetonitrile; at 60℃;	General procedure: 2,4-Lutidine (0.034 g, 0.318 mmol) was added to a solution of [Cd(piv)2] (0.100 g, 0.318 mmol) in MeCN (15 mL). In a separate flask, Kpiv (0.044 g, 0.318 mmol) in MeCN (15 mL) was added to Mg(NO3)2?6H2O (0.041 g, 0.159 mmol). Both reaction mixtures were stirred at 60 °C to homogenization, pooled, and stirred again at the same temperature for 30 min. The solution was filtered to remove a white precipitate (KNO3) and left for slowe vaporation in air at 20 °C. After 24 h, complex 1 was isolated as colorless crystals suitable for X-ray diffraction, washed with cold (?5 °C) MeCN, and dried in vacuo. [Cd2Sr(mu-piv-kappa2O,O')2(mu-piv-kappa3O,O,O')4(lut)2] was obtained as described above for complex 1, with Sr(NO3)2?6H2O (0.026 g, 0.159 mmol) as a Sr2+ source. Evaporation of the mother liquor for 24 h produced complex 3 as colorless crystals suitable for X-ray diffraction.

Reference： [1]Russian Chemical Bulletin,2016,vol. 65,p. 181 - 190
Izv. Akad. Nauk, Ser. Khim.,2016,p. 181 - 190,10

81
[ 15529-49-4 ]
[ 19455-23-3 ]
[Ru(OPiv)₂(PPh₃)₂] [ No CAS ]

Reference： [1]Chemistry - A European Journal,2018,vol. 24,p. 3984 - 3988

82
[ 10026-10-5 ]
[ 19455-23-3 ]
[ 108-88-3 ]
[U₄O₂(O₂C^tBu)₁₂] (toluene)_1.5 [ No CAS ]

Reference： [1]Dalton Transactions,2018,vol. 47,p. 6361 - 6369

83
2,2,2-trichloroethyl (2-(tert-butylcarbamoyl)phenyl)sulfamate [ No CAS ]
[ 19455-23-3 ]
[ 13193-61-8 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 4828 - 4832

84
dichloro(2-pyridyl-5-fluoro-8-diisopropylphosphinoquinoline)iron(II) [ No CAS ]
[ 19455-23-3 ]
bis(pivaloate)(2-pyridyl-5-fluoro-8-diisopropylphosphinoquinoline)iron(II) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67%	In benzene; at 20℃; for 1.0h;Inert atmosphere; Schlenk technique;	Under air free conditions, a benzenesolution (5 mL) containing 4a (100.0 mg, 0.214mmol) andKOPv (300.2 mg, 2.14mmol, 10 equiv.) was stirred for 1 h atroom temperature. The insoluble materials were filtered off. Tothe filtrate was added hexane (10 mL). The precipitated greensolid was filtered, washed with hexane (5 mL, twice), and driedunder high vacuum to give the title complex (85.8 mg, 0.143mmol, 67percent) as a green solid. Single crystals suitable for X-raydiffraction were obtained from concentrated benzene solutionlayered with hexane. 1HNMR (600 MHz, benzene-d6) delta174.38, 136.08, 67.35, 61.97, 47.22, 27.48, 20.44, 9.92, 4.46,2.88, 12.26. HRMS (ESI) Calcd. for C30H40FFeN2O4P [M]+:598.2054, Found 598.2055. Elemental analysis, Found: C,61.67; H, 6.76; N, 4.03percent, Calcd. For C32.7H42.7FFeN2O4P[M + 0.45 C6H6]: C, 61.99; H, 6.79; N, 4.42percent.

Reference： [1]Bulletin of the Chemical Society of Japan,2018,vol. 91,p. 1429 - 1435

85
[dipotassium(cadmium(II))₃(trimethylacetate)₈(H₂O)₆] [ No CAS ]
[ 19455-23-3 ]
[ 75-05-8 ]
[(potassium)₃(cadmium(II))₂(trimethylacetate)₇(acetonitrile)₂] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
84%	at 80℃; for 1.0h;	A weighed sample of complex II (1.00 g, 0.75 mmol) was added with KPiv (0.26 g, 1.87 mmol) in MeCN (50 mL). The suspension was stirred on heating (80°C) for 1 h. The obtained solution was cooled and kept at ambient temperature for 24 h in an open beaker. The formed colorless crystals suitable for X-ray diffraction analysis were washed with MeCN (?5°C) and dried in air.

Reference： [1]Russian Journal of Coordination Chemistry,2018,vol. 44,p. 473 - 482
Koord. Khim.,2018,vol. 44,p. 473 - 482,10

86
cadmium(II) chloride dihydrate [ No CAS ]
[ 19455-23-3 ]
[ 75-05-8 ]
potassium[(cadmium(II))₆(trimethylacetate)₁₂] acetonitrile disolvate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
99%	at 80℃;	Weighed samples of CdCl22H2O (1.00 g, 4.56 mmol) and KPiv (1.28 g, 9.13 mmol) were truturated in a mortar with several droplets of MeCN. The obtained solid product was poured with MeCN (50 mL) to dissolve the cadmium complex, the solution was filtered to remove a precipitate of KCl, the mother liquor was concentrated to a volume of 10 mL at 80, and the obtained solution was cooled to room temperature. Colorless crystals suitable for X-ray diffraction analysis were formed in 24 h and separated from the solution by decantation. The concentrating of the remained solution to a volume of 1?2 mL resulted in the isolation of an additional amount of the complex. The yield of compound I was 1.55 g (99percent) based on the starting amount of CdCl22H2O.

Reference： [1]Russian Journal of Coordination Chemistry,2018,vol. 44,p. 473 - 482
Koord. Khim.,2018,vol. 44,p. 473 - 482,10

87
potassium[(cadmium(II))₆(trimethylacetate)₁₂] acetonitrile disolvate [ No CAS ]
[ 19455-23-3 ]
[ 75-05-8 ]
[(potassium)₃(cadmium(II))₂(trimethylacetate)₇(acetonitrile)₂] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81%	at 80℃;	A weighed sample of complex I (1.00 g,0.51 mmol) was added with KPiv (0.57 g, 4.06 mmol) in MeCN (50 mL), and the suspension was stirred on heating (80°C). The obtained solution was cooled and kept at ambient temperature in an open beaker. The crystals for X-ray diffraction analysis were sampled at the volume of mother liquor 1 equal to ~10 mL. The crystals were washed with MeCN (?5°C) and dried in air. Mother liquor 1 was concentrated to dryness and dissolved in MeCN (undissolved KCl was separated by filtration), and mother liquor 2 was kept at ambient temperature in an open beaker for 48 h. The formed finely crystalline precipitate was washed with MeCN (?5°C) and dried in air.

Reference： [1]Russian Journal of Coordination Chemistry,2018,vol. 44,p. 473 - 482
Koord. Khim.,2018,vol. 44,p. 473 - 482,10

88
cadmium(II) chloride dihydrate [ No CAS ]
[ 7732-18-5 ]
[ 19455-23-3 ]
[dipotassium(cadmium(II))₃(trimethylacetate)₈(H₂O)₆] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
27%	at 100℃;	Weighed samples of CdCl2*2H2O (1.00 g, 4.56 mmol) and KPiv (1.71 g, 12.16 mmol) were dissolved in water (50 mL). The obtained solution was stirred to the complete dissolution of the reagents and concentrated at 100° to 25 mL. Then the solution was kept at ambient temperature in an open beaker for 48 h. The precipitated colorless crystals suitable for X-ray diffraction analysis were separated from the solution by decantation, washed with water (4°C), and dried in air.

Reference： [1]Russian Journal of Coordination Chemistry,2018,vol. 44,p. 473 - 482
Koord. Khim.,2018,vol. 44,p. 473 - 482,10

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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

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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. 19455-23-3 ] {[proInfo.proName]}

Quality Control of [ 19455-23-3 ]

Related Doc. of [ 19455-23-3 ]

Product Details of [ 19455-23-3 ]

Calculated chemistry of [ 19455-23-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 19455-23-3 ]

Application In Synthesis of [ 19455-23-3 ]

[ 19455-23-3 ] Synthesis Path-Upstream 1~5

[ 19455-23-3 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 19455-23-3 ]

Aliphatic Chain Hydrocarbons

Carboxylic Acid Salts

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 19455-23-3 ]