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[ CAS No. 14024-63-6 ] {[proInfo.proName]}

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Chemical Structure| 14024-63-6
Chemical Structure| 14024-63-6
Structure of 14024-63-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 14024-63-6 ]

CAS No. :14024-63-6 MDL No. :MFCD00000035
Formula : C10H14O4Zn Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 263.61 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 14024-63-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.08
TPSA : 68.28 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.03
Log Po/w (WLOGP) : 0.73
Log Po/w (MLOGP) : -0.65
Log Po/w (SILICOS-IT) : -2.66
Consensus Log Po/w : -0.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.46
Solubility : 9.24 mg/ml ; 0.035 mol/l
Class : Very soluble
Log S (Ali) : -0.95
Solubility : 29.3 mg/ml ; 0.111 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.48
Solubility : 0.0863 mg/ml ; 0.000327 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.53

Safety of [ 14024-63-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14024-63-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 14024-63-6 ]

[ 14024-63-6 ] Synthesis Path-Downstream   1~85

  • 1
  • [ 491614-00-7 ]
  • [ 14024-63-6 ]
  • [ 733810-49-6 ]
YieldReaction ConditionsOperation in experiment
To a solution OF 6- (BROMOMETHYL)-1, 2,3, 4-TETRAHYDRO-3-METHYL-1-(2-METHYLPROPYL)-2, 4- dioxo-thieno [2, 3-d] pyrimidine-5-carboxylic acid methyl ester (1. 0g) in chloroform (25ML) WAS ADDED ZINC ACETYLACETONATE HYDRATE (0.73g) and the mixture heated at reflux for 30 minutes. After cooling the mixture was stirred vigorously with saturated sodium bicarbonate, the organics were then collected and treated with 35% aqueous hydrazine (L. OML} and stirred at ambient temperature for 16 hours. The reaction mixture was washed with water and purified by chromatography (ethyl acetate) to afford the sub-title compound as a white solid (1.04g). 8'HCDCI3 0.93 (6H, d), 2.21-2. 26 (1H, m), 2.21 (6H, s), 3.39 (3H, s), 3.68 (2H, d), 3.90 (2H, s), 3.96 (3H, s).
  • 2
  • zinc hydroxide [ No CAS ]
  • [ 123-54-6 ]
  • [ 14024-63-6 ]
YieldReaction ConditionsOperation in experiment
Neat (no solvent); Zinc (II) acetate dihydrate (1 g, 4.6 mmol) was dissolved in 100 mL of water in a 250 mL beaker. A 5% aqueous solution of NaOH was slowly added with constant stirring to precipitate the metal as Zn(OH)2. The metal hydroxide was washed free of alkali by repeated washing with water by decantation of the supernatant liquid followed by centrifugation. Distilled acetylacetone (1 mL, 9.7 mmol) was added to the centrifuge tubes containing Zn(OH)2. An immediate reaction set in leading to the formation of white shiny crystals of Zn(acac)2.xH2O. The compound was quantitatively transferred to Whatman No.42 filter paper, dried first by pressing between the folds of the filter paper and then in vacuo over fused CaCl2. Yield: 0.99 g (83%) (Considering Zn(acac)2.xH2O with x=0) Melting Point: 132-138 C. The IR and Mass spectra of the compound match very well with those reported in literature. In place of Zinc (II) acetate dihydrate, any other soluble zinc (II) can be used. Analytical data: The compound analyzed correctly C10H14ZnO4: Calc. M, 263: C, 45.63: H, 5.32, Zn, 24.86%. Found. M (mass spectrum) 263: C, 45.65: H, 5.35: Zn, 24.78%
  • 3
  • C20H21N3O4 [ No CAS ]
  • [ 14024-63-6 ]
  • C40H40N6O8Zn [ No CAS ]
YieldReaction ConditionsOperation in experiment
With acetic acid; In methanol; ethyl acetate; at 65℃; for 4.5h; Starting material 3-hydroxy-4-[(5-hydroxy-1-phenyl-3-propyl)pyrazol-4-yl]cyclobutene-1,2-dione was synthesized in a similar manner to the method described in WO 2001/44233. To a mixed solvent of 15 ml of butanol and 15 ml of toluene, 5.00 g of 3-hydroxy-4-[(5-hydroxy-1-phenyl-3-propyl)pyrazol-4-yl]cyclobutene-1,2-dione and 1.90 g of morpholine were added and the mixture was reacted at 100C to 120C for 7.0 hours. Then, 15 ml of methanol was added to the reaction mixture and the mixture was cooled to 20C to 30C. The precipitated orange solid was collected by filtration (4.53 g). To 0.50 g of the obtained solid, 0.18 g of zinc acetylacetonate, 0.08 g of acetic acid, 2 ml of ethyl acetate and 2 ml of methanol were added, and the mixture was reacted at 65C for 4.5 hours. After the reaction mixture was cooled to 20C to 30C, the precipitated yellow solid was collected by filtration to thereby yield Compound 4 (0.42 g). IR (KBr) cm-1: 2963, 1561, 1476, 1279, 958
  • 4
  • [ 143-66-8 ]
  • [ 13395-16-9 ]
  • [ 14024-63-6 ]
  • [ 12775-96-1 ]
  • [ 7440-66-6 ]
  • 5
  • [ 14024-63-6 ]
  • [ 758-16-7 ]
  • zinc sulfide [ No CAS ]
  • 6
  • [ 14024-63-6 ]
  • [ 7783-06-4 ]
  • zinc sulfide [ No CAS ]
  • 9
  • Zn(OC(CH3)CHC(CH3)O)2(H2O) [ No CAS ]
  • [ 14024-63-6 ]
  • 10
  • [ 743369-26-8 ]
  • [ 123-54-6 ]
  • [ 7440-66-6 ]
  • [ 14024-63-6 ]
  • 12
  • [ 123-54-6 ]
  • zinc(II) oxide [ No CAS ]
  • [ 14024-63-6 ]
  • 13
  • [ 14024-63-6 ]
  • zinc acetate [ No CAS ]
  • (65)Zn(2+)*2CH3COCHCOCH3(1-)={(65)Zn(CH3COCHCOCH3)2} [ No CAS ]
  • 14
  • [ 14024-63-6 ]
  • [ 250275-58-2 ]
  • [ 726696-05-5 ]
  • 16
  • [ 14024-63-6 ]
  • [ 326475-32-5 ]
  • [ 627873-34-1 ]
  • 18
  • [ 14024-63-6 ]
  • 5,10,15,20-meso-tetra(p-methoxyphenyl) porphyrin [ No CAS ]
  • [ 57715-42-1 ]
  • 19
  • [ 7733-02-0 ]
  • [ 123-54-6 ]
  • [ 14024-63-6 ]
  • 20
  • [ 14024-63-6 ]
  • 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin [ No CAS ]
  • [ 100506-72-7 ]
  • 21
  • [ 14024-63-6 ]
  • [ 191483-86-0 ]
  • [ 874444-99-2 ]
  • 22
  • copper acetylacetonate [ No CAS ]
  • [ 557-20-0 ]
  • [ 14024-63-6 ]
  • [ 74-85-1 ]
  • [ 12775-96-1 ]
  • 25
  • [ 14024-63-6 ]
  • [ 555-31-7 ]
  • zinc aluminate [ No CAS ]
  • 26
  • [ 14024-63-6 ]
  • N,N'-bis(3-hydroxysalicylidene)-1,2-cyclohexanediamine [ No CAS ]
  • [ 874444-96-9 ]
  • 27
  • [ 14024-63-6 ]
  • N,N'-bis(3-hydroxysalicylidene)-4,5-dimethyl-1,2-phenylenediamine [ No CAS ]
  • [ 874444-98-1 ]
  • 28
  • [ 14024-63-6 ]
  • 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin [ No CAS ]
  • [ 29116-33-4 ]
  • 29
  • [ 14024-63-6 ]
  • [ 80937-33-3 ]
  • zinc(II) oxide [ No CAS ]
  • 30
  • [ 14024-63-6 ]
  • [ 137006-69-0 ]
  • [ 874444-95-8 ]
  • 31
  • bis(acetylacetonato)manganese(II) [ No CAS ]
  • [ 14024-63-6 ]
  • [ 7783-06-4 ]
  • manganese doped zinc sulphide [ No CAS ]
  • 32
  • [ 72871-59-1 ]
  • bis(acetylacetonate)copper(II) [ No CAS ]
  • [ 14024-63-6 ]
  • [ 34156-34-8 ]
  • 33
  • [ 14024-63-6 ]
  • [ 91-15-6 ]
  • [ 14320-04-8 ]
  • 34
  • [ 14024-63-6 ]
  • 5,10,15,20-tetramesitylporphyrin [ No CAS ]
  • [ 104025-54-9 ]
  • 35
  • [ 14024-63-6 ]
  • {zinc(II)*(CH3COCHCOCH3)2*Cl}(1-) [ No CAS ]
  • [ 17272-66-1 ]
  • 36
  • [ 14024-63-6 ]
  • {zinc(II)*(CH3COCHCOCH3)2*F}(1-) [ No CAS ]
  • [ 17272-66-1 ]
  • 37
  • [ 14024-63-6 ]
  • {zinc(II)*(CH3COCHCOCH3)2*Br}(1-) [ No CAS ]
  • [ 17272-66-1 ]
  • 39
  • [ 14024-63-6 ]
  • [ 34156-34-8 ]
  • [ 72871-59-1 ]
  • bis(acetylacetonate)copper(II) [ No CAS ]
  • 40
  • [ 546-68-9 ]
  • [ 14024-63-6 ]
  • zinc titanate [ No CAS ]
  • 41
  • [ 14024-63-6 ]
  • [ 14024-18-1 ]
  • zinc ferrite [ No CAS ]
  • 42
  • [ 14024-63-6 ]
  • [ 14781-45-4 ]
  • copper(II) hexafluoroacetylacetonate acetylacetonate [ No CAS ]
  • 43
  • [ 14024-63-6 ]
  • [ 141233-05-8 ]
  • N,N'-bis(3-hydroxysalicylidene)-2,2-dimethyl-1,3-propanediamine Zn(II) [ No CAS ]
  • 44
  • [ 14024-63-6 ]
  • [ 149490-62-0 ]
  • [ 479199-22-9 ]
  • 45
  • [ 14024-63-6 ]
  • [ 141233-04-7 ]
  • [Zn(N,N'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine(-2H))] [ No CAS ]
  • 46
  • [ 1118-67-8 ]
  • [ 7646-85-7 ]
  • [ 14024-63-6 ]
  • 47
  • [ 859064-49-6 ]
  • [ 14024-63-6 ]
  • pyridinium tetrabromozincate [ No CAS ]
  • 49
  • 5,10,15,20-tetraphenyl tetrabenzoporphyrin [ No CAS ]
  • [ 14024-63-6 ]
  • [ 80529-82-4 ]
  • 50
  • [ 14024-63-6 ]
  • [ 129944-05-4 ]
  • ((C6H12N2)Zn(C2H4S)2)2 [ No CAS ]
  • 51
  • [ 14024-63-6 ]
  • cobalt(II) bromide [ No CAS ]
  • (THF)2zinc(II) bis(acetylacetonato)(cobalt(II) bromide) [ No CAS ]
  • 52
  • [ 14024-63-6 ]
  • [ 7646-79-9 ]
  • [ 7646-85-7 ]
  • (THF)3cobalt(II)(acetylacetonato)(μ-chloro)(zinc(II) chloride) [ No CAS ]
  • 53
  • [ 14024-63-6 ]
  • zinc oxide OZn, hexagonal, wurtzite [ No CAS ]
  • 54
  • [ 14024-63-6 ]
  • zinc acetylacetonate [ No CAS ]
  • 55
  • [ 14024-63-6 ]
  • titanium(IV) oxide [ No CAS ]
  • TiO2#dotZn [ No CAS ]
  • 56
  • [ 14024-63-6 ]
  • [ 950-58-3 ]
  • bis(acetylacetonato)bis(2,6-di-t-butyl-1,4-quinonemonoimino)zinc [ No CAS ]
  • 58
  • [ 14024-63-6 ]
  • 1,2-Naphthoquinone 1-oxime lithium salt [ No CAS ]
  • Li(1+)*C10H6(NO)(O)(1-)*Zn(2+)*2CH3COCHCOCH3(1-)=Li(C10H6(NO)(O))Zn(CH3COCHCOCH3)2 [ No CAS ]
  • 59
  • [ 14024-63-6 ]
  • [ 80066-42-8 ]
  • Na(1+)*C10H6(NO)(O)(1-)*Zn(2+)*2CH3COCHCOCH3(1-)=Na(C10H6(NO)(O))Zn(CH3COCHCOCH3)2 [ No CAS ]
  • 60
  • [ 14024-63-6 ]
  • [ 37407-37-7 ]
  • K(1+)*C9H6N(O)(1-)*Zn(2+)*2CH3COCHCOCH3(1-)=K(C9H6N(O))Zn(CH3COCHCOCH3)2 [ No CAS ]
  • 62
  • [ 14024-63-6 ]
  • [ 25387-93-3 ]
  • Li(1+)*C9H6N(O)(1-)*Zn(2+)*2CH3COCHCOCH3(1-)=Li(C9H6N(O))Zn(CH3COCHCOCH3)2 [ No CAS ]
  • 63
  • [ 14024-63-6 ]
  • [ 2872-54-0 ]
  • Na(1+)*C9H6N(O)(1-)*Zn(2+)*2CH3COCHCOCH3(1-)=Na(C9H6N(O))Zn(CH3COCHCOCH3)2 [ No CAS ]
  • 64
  • [ 14024-63-6 ]
  • [Fe((CH3)4(C14H6N6))((C4H3N2)2)](2+)*2ClO4(1-) = [Fe((CH3)4(C14H6N6))((C4H3N2)2)](ClO4)2 [ No CAS ]
  • [Fe((CH3)4(C14H6N6))((C4H3N2)2)Zn(OCCH3CHCH3CO)2](2+)*2ClO4(1-) = [Fe(C18H18N6)((C4H3N2)2)Zn(OCCH3CHCH3CO)2](ClO4)2 [ No CAS ]
  • 65
  • C6H5CH2Cu*0.25C6H5CH2Zn(1+)*1.75CH3COCHCOCH3(1-)*0.75Zn(2+) [ No CAS ]
  • [ 14024-63-6 ]
  • Benzylzinkacetylacetonat [ No CAS ]
  • [ 81324-04-1 ]
  • 66
  • C6H5CH2Cu*0.25C6H5CH2Zn(1+)*1.75CH3COCHCOCH3(1-)*0.75Zn(2+) [ No CAS ]
  • [ 14024-63-6 ]
  • CH3OZn(acetylacetonate) [ No CAS ]
  • [ 12775-96-1 ]
  • 67
  • [ 288-32-4 ]
  • [ 14024-63-6 ]
  • Zn(acetylacetonate)2(imidazole) [ No CAS ]
  • 68
  • [ 110-91-8 ]
  • [ 14024-63-6 ]
  • Zn(acetylacetonate)2(morpholine) [ No CAS ]
  • 69
  • [ 693-98-1 ]
  • [ 14024-63-6 ]
  • Zn(acetylacetonate)2(2-methylimidazole) [ No CAS ]
  • 70
  • [ 615-15-6 ]
  • [ 14024-63-6 ]
  • Zn(acetylacetonate)2(2-methylbenzimidazole) [ No CAS ]
  • 71
  • [ 51-17-2 ]
  • [ 14024-63-6 ]
  • Zn(acetylacetonate)2(benzimidazole) [ No CAS ]
  • 73
  • [ 148-24-3 ]
  • [ 14024-63-6 ]
  • Zn(2+)*C9H6NO(1-)*(CH3C(O)CHC(O)CH3)(1-)*2H2O = Zn(C9H6NO)(CH3C(O)CHC(O)CH3)*2H2O [ No CAS ]
  • 74
  • [ 14024-63-6 ]
  • KZn(acetylacetonate)2(SCN) [ No CAS ]
  • 75
  • [ 14024-63-6 ]
  • KZn(acetylacetonate)2(CN) [ No CAS ]
  • 76
  • [ 14024-63-6 ]
  • NaZn(acetylacetonate)2(N3) [ No CAS ]
  • 77
  • [ 14024-63-6 ]
  • [ 62-55-5 ]
  • zinc sulfide [ No CAS ]
  • 78
  • [ 14024-63-6 ]
  • [ 865-35-0 ]
  • [ 341027-05-2 ]
  • 79
  • [ 110-86-1 ]
  • [ 14024-63-6 ]
  • [ 141233-05-8 ]
  • tetra(acetylacetonato)uranium(IV) [ No CAS ]
  • [((N,N'-bis(3-hydroxysalicylidene)-2,2-dimethyl-1,3-propanediamine)Zn(II)(pyridine))2U(IV)] [ No CAS ]
  • 80
  • [ 110-86-1 ]
  • [ 14024-63-6 ]
  • [ 690-52-8 ]
  • [ 182295-39-2 ]
  • 82
  • [ 14024-63-6 ]
  • [ 25774-02-1 ]
  • Zn(II) phenylmalonate benzylester [ No CAS ]
  • 83
  • ammonium fluoride [ No CAS ]
  • [ 14024-63-6 ]
  • fluorine doped zinc oxide [ No CAS ]
  • 84
  • sodium hexaflorophosphate [ No CAS ]
  • [ 14024-63-6 ]
  • [ 88194-17-6 ]
  • Zn(C6H14N2S)2(2+)*2PF6(1-) = [Zn(C6H14N2S)2](PF6)2 [ No CAS ]
  • 85
  • [ 14024-63-6 ]
  • [ 584-10-1 ]
  • [ 2001-45-8 ]
  • 2(C6H5)4P(1+)*Zn(2+)*2CS3(2-)=((C6H5)4P)2[Zn(CS3)2] [ No CAS ]
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