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[ CAS No. 2966-50-9 ] {[proInfo.proName]}

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Chemical Structure| 2966-50-9
Chemical Structure| 2966-50-9
Structure of 2966-50-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2966-50-9 ]

CAS No. :2966-50-9 MDL No. :MFCD00013199
Formula : C2AgF3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :KZJPVUDYAMEDRM-UHFFFAOYSA-M
M.W : 220.88 Pubchem ID :76299
Synonyms :

Calculated chemistry of [ 2966-50-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 11.75
TPSA : 40.13 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.91
Log Po/w (WLOGP) : 0.56
Log Po/w (MLOGP) : 0.27
Log Po/w (SILICOS-IT) : 0.93
Consensus Log Po/w : 0.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.72
Solubility : 4.24 mg/ml ; 0.0192 mol/l
Class : Very soluble
Log S (Ali) : -1.34
Solubility : 10.1 mg/ml ; 0.0459 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.08
Solubility : 182.0 mg/ml ; 0.826 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 2966-50-9 ]

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 [ 2966-50-9 ]

* 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 [ 2966-50-9 ]
  • Downstream synthetic route of [ 2966-50-9 ]

[ 2966-50-9 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 106-46-7 ]
  • [ 2966-50-9 ]
  • [ 320-50-3 ]
Reference: [1] Journal of the Chemical Society - Series Chemical Communications, 1993, # 17, p. 1359 - 1361
  • 2
  • [ 950-57-2 ]
  • [ 2966-50-9 ]
  • [ 2444-28-2 ]
  • [ 1139-52-2 ]
  • [ 7330-85-0 ]
Reference: [1] Journal of Organic Chemistry, 1996, vol. 61, # 20, p. 7156 - 7161
  • 3
  • [ 76-05-1 ]
  • [ 2966-50-9 ]
YieldReaction ConditionsOperation in experiment
2.3 g
Stage #1: With sodium carbonate In water at 20℃; for 0.5 h;
2.5 g (0,0147 M) AgNO3was dissolved in20 cm3 of water in a 100 ml flask, then solution of1.715 g (0,0162 M) sodium carbonate in 30 cm3 ofwater was added drop wise slowly at room temperature to the AgNO3 solution, stirred for 30minutes, the precipitate was filtered off, washed withwater and dried in a vacuum-desiccator.Trifluoroacetic acid was poured to the residue andthe solution was stirred with a magnetic stirrer,rotary evaporated and dried under vacuum. Theyield is 2.3 g of silver trifluoroacetate. Found: C-10,859 percent, Obtained: C-11,105 percent.
Reference: [1] Oriental Journal of Chemistry, 2015, vol. 31, # 4, p. 2515 - 2520
  • 4
  • [ 2923-18-4 ]
  • [ 2966-50-9 ]
YieldReaction ConditionsOperation in experiment
1.5 g at 20℃; 3.4 g of sodium trifluoroacetate was dissolved in 6 g of water to prepare an aqueous solution. An aqueous solution prepared by dissolving 3.39 g of silver nitrate in 3 g of water was added thereto at room temperature. The resulting aqueous solution was extracted 10 times with 5 ml of diethyl ether and the combined extracts were dried over anhydrous magnesium sulfate. The magnesium sulfate was filtered off and the ether solution was concentrated on a rotary evaporator to precipitate a white solid. Further, the mixture was dried by heating on a rotary evaporator under reduced pressure at 50 ° C. for 2 hours to obtain 1.5 g of a white powder of silver trifluoroacetate.
Reference: [1] Patent: JP2018/52831, 2018, A, . Location in patent: Paragraph 0060
  • 5
  • [ 76-05-1 ]
  • [ 20667-12-3 ]
  • [ 2966-50-9 ]
Reference: [1] Polyhedron, 1996, vol. 15, # 24, p. 4349 - 4354
[2] Bulletin of the Chemical Society of Japan, 1988, vol. 61, p. 417 - 422
[3] Russian Journal of General Chemistry, 2008, vol. 78, # 11, p. 2162 - 2163
[4] Journal of the American Chemical Society, 1984, vol. 106, # 19, p. 5532 - 5537
[5] Journal of the American Chemical Society, 1981, vol. 103, # 11, p. 3161 - 3172
[6] Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 1999, vol. 25, # 1, p. 65 - 68
  • 6
  • [ 76-05-1 ]
  • [ 2966-50-9 ]
Reference: [1] Organic Syntheses, 1988, vol. 66, p. 108 - 108
  • 7
  • [ 76-05-1 ]
  • [ 2966-50-9 ]
Reference: [1] Zeitschrift fur Physikalische Chemie, 2005, vol. 219, # 8, p. 1099 - 1106
  • 8
  • [ 76-05-1 ]
  • [ 2966-50-9 ]
Reference: [1] Russian Journal of Inorganic Chemistry, 2013, vol. 58, # 9, p. 1085 - 1089[2] Zh. Neorg. Khim., 2013, vol. 58, # 9, p. 1212 - 1216,5
[3] Russian Journal of Inorganic Chemistry, 2014, vol. 59, # 9, p. 998 - 1003[4] Zh. Neorg. Khim., 2014, vol. 59, # 9, p. 1231 - 1236,6
  • 9
  • [ 2966-50-9 ]
  • [ 21259-75-6 ]
  • [ 811-68-7 ]
Reference: [1] Journal of the Chemical Society, [2] Journal of the Chemical Society, 1962, p. 1254 - 1260
[3] , Gmelin Handbook: F: PerFHalOrg.2, 1.1.6.11, page 32 - 49,
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