天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 14243-64-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14243-64-2
Chemical Structure| 14243-64-2
Structure of 14243-64-2 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 14243-64-2 ]

Related Doc. of [ 14243-64-2 ]

Alternatived Products of [ 14243-64-2 ]
Product Citations

Product Citations

Hintzsche, Samuel J. ; Vang, Zoua Pa ; Rivera Torres, Emanuel , et al. DOI: PubMed ID:

Abstract: Selective deuterium installation into small molecules is becoming increasingly desirable not only for the elucidation of mechanistic pathways and studying biological processes but also because of deuterium's ability to favorably adjust the pharmacokinetic parameters of bioactive molecules. Fused bicyclic moieties, especially those containing heteroatoms, are prevalent in drug discovery and pharmaceuticals. Herein, we report a copper-catalyzed transfer hydrodeuteration of cyclic and heterocyclic alkenes, which enables the synthesis of chromans, quinolinones, and tetrahydronaphthalenes that are precisely deuterated at the benzylic position. We also demonstrate the ability to place one deuterium atom at the homobenzylic site of these scaffolds with high regioselectivity by swapping transfer reagents for their isotopic analogs. Furthermore, examples of chemoselective transfer hydrogenation and transfer deuteration are disclosed, allowing for the simultaneous incorporation of two vicinal hydrogen or deuterium atoms into a double bond.

Keywords: copper ; deuteration ; hydrodeuteration ; hydrogenation ; transition metal catalysis

Purchased from AmBeed: ; ; ; ; ; ;

Product Details of [ 14243-64-2 ]

CAS No. :14243-64-2 MDL No. :MFCD00009588
Formula : C18H15AuClP Boiling Point : -
Linear Structure Formula :[Au(P(C6H5)3)(Cl)] InChI Key :IFPWCRBNZXUWGC-UHFFFAOYSA-M
M.W : 494.71 Pubchem ID :10874691
Synonyms :
Chemical Name :Chloro(triphenylphosphine)gold(I)

Calculated chemistry of [ 14243-64-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 91.0
TPSA : 13.59 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 6.49
Log Po/w (WLOGP) : 4.13
Log Po/w (MLOGP) : 5.4
Log Po/w (SILICOS-IT) : 5.5
Consensus Log Po/w : 4.3

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -7.43
Solubility : 0.0000183 mg/ml ; 0.000000037 mol/l
Class : Poorly soluble
Log S (Ali) : -6.57
Solubility : 0.000133 mg/ml ; 0.000000268 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -7.54
Solubility : 0.0000141 mg/ml ; 0.0000000286 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.27

Safety of [ 14243-64-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14243-64-2 ]

* 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 [ 14243-64-2 ]

[ 14243-64-2 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 103987-81-1 ]
  • [ 14243-64-2 ]
  • 8-quinolylethynyl(triphenylphosphine)gold [ No CAS ]
YieldReaction ConditionsOperation in experiment
96% With sodium ethanolate; In ethanol; at 20.0℃; for 17.0h; Under an argon atmosphere, Au(PPh3)Cl (0.20 g, 0.40 mmol), <strong>[103987-81-1]8-quinolylethyne</strong> (92 mg, 0.60 mmol) and ethanol (8 ml) were added to a Schlenk tube (25 mL) and sodium ethoxide (165 mul, 0.42 mmol; 2.55 M, ethanol solution) was added dropwise thereto, followed by stirring of the mixture at room temperature for 17 hours. After completion of the reaction, the resulting white precipitate was filtered and washed with ethanol (5 ml×three times), water (5 ml×four times) and ethanol (5 ml×three times) and dried under vacuum to give 0.23 g of the desired compound as a pale yellow powder (yield: 96%). 1H-NMR (400MHz, CDCl3) delta: 9.07 (dd, 1H), 8.12 (dd, 1H), 7.99 (dd, 1H), 7.68 (dd, 1H), 7.62-7.36 (m, 17H) 31P-NMR (160 MHz, CDCl3): 42.8 FAB-MS (M/Z) : 612 (M+H)+ Luminescence analysis: (CHCl3, 77K, Ex250nm) lambda (nm): 380, 526, 567 Elemental analysis: Found C: 57.06, H: 3.45, N: 2.33 Theoretical C: 56.97, H: 3.46, N: 2.29
  • 2
  • [ 14243-64-2 ]
  • [ 884494-34-2 ]
  • 5-fluoro-2-pyridylethynyl(triphenylphosphine)gold [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With sodium ethanolate; In ethanol; at 20℃; for 17h; Under an argon atmosphere, Au(PPh3)Cl (474 mg, 0.96 mmol), <strong>[884494-34-2]5-fluoro-2-pyridylethyne</strong> (174 mg, 1.44 mmol) and ethanol (19 ml) were added to a 20 ml Schlenk tube, and then sodium ethoxide (395 mul, 1.01 mmol: 2.55 mol/L (liter) in ethanol solution) was added dropwise thereto and the mixture was stirred at room temperature for 17 hours. After completion of the reaction, the resulting white precipitate was filtered and successively washed with ethanol (12 mlxthree times), water (12 mlxthree times) and ethanol (6 mlxthree times), followed by drying under vacuum to give 0.48 g of the desired compound as a yellow powder (yield: 86%). 1H-NMR (400 MHz, CDCl3) delta: 8.37 (d, 1H), 7.23-7.59 (m, 18H), (FAB-MS) (M/Z): 580 (M+H)+ Luminescence analysis: (CHCl3, 77K, Ex250nm) lambda (nm): 418, 446, 457 Elemental analysis: Found C: 51.51, H: 3.02, N: 2.47 Theoretical C: 51.83, H: 3.13, N: 2.42
  • 3
  • [ 14243-64-2 ]
  • [ 853909-08-7 ]
  • 6-fluoro-3-pyridylethynyl(triphenylphosphine)gold [ No CAS ]
YieldReaction ConditionsOperation in experiment
73% With sodium ethanolate; In ethanol; at 20℃; for 17h; Under an argon atmosphere, Au(PPh3)Cl (488 mg, 0.99 mmol), <strong>[853909-08-7]6-fluoro-3-pyridylethyne</strong> (179 mg, 1.48 mmol) and ethanol (20 ml) were added to a 20 ml Schlenk tube, and then sodium ethoxide (408 mul, 1.04 mmol: 2.55 mol/L (liter) in ethanol solution) was added dropwise thereto and the mixture was stirred at room temperature for 17 hours. After completion of the reaction, the resulting white precipitate was filtered and successively washed with ethanol (12 ml .x. three times), water (12 ml .x. three times) and ethanol (6 ml .x. three times), followed by drying under vacuum to give 0.42 g of the desired compound as a yellow powder (yield: 73percent). 1H-NMR (400 MHz, CDCl3) delta: 8.35 (s, 1H), 7.81-7.87 (m, 1H), 6.80-6.84 (m, 1H) (FAB-MS) (M/Z): 580 (M+H)+ Luminescence analysis: (CHCl3, 77K, Ex250nm) lambda (nm): 413, 433, 442, 452 Elemental analysis: Found C: 51.76, H: 3.05, N: 2.51 Theoretical C: 51.83, H: 3.13, N: 2.42
  • 4
  • [ 288-16-4 ]
  • [ 14243-64-2 ]
  • [ 167637-13-0 ]
  • 5
  • [ 14243-64-2 ]
  • [ 75-09-2 ]
  • [ 19362-77-7 ]
  • C48H38Au2P2S3*0.5CH2Cl2 [ No CAS ]
  • 6
  • [ 1554512-06-9 ]
  • [ 182482-25-3 ]
  • [ 14243-64-2 ]
  • [ 41860-46-2 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;