成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 326-90-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 326-90-9
Chemical Structure| 326-90-9
Structure of 326-90-9 * 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 [ 326-90-9 ]

Related Doc. of [ 326-90-9 ]

Alternatived Products of [ 326-90-9 ]
Product Citations

Product Details of [ 326-90-9 ]

CAS No. :326-90-9 MDL No. :MFCD00020935
Formula : C8H5F3O3 Boiling Point : -
Linear Structure Formula :F3CCOCH2CO(C4OH3) InChI Key :OWLPCALGCHDBCN-UHFFFAOYSA-N
M.W : 206.12 Pubchem ID :67594
Synonyms :

Calculated chemistry of [ 326-90-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.25
Num. rotatable bonds : 4
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.91
TPSA : 47.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.08
Log Po/w (XLOGP3) : 1.49
Log Po/w (WLOGP) : 3.24
Log Po/w (MLOGP) : 0.01
Log Po/w (SILICOS-IT) : 2.39
Consensus Log Po/w : 1.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.06
Solubility : 1.81 mg/ml ; 0.00877 mol/l
Class : Soluble
Log S (Ali) : -2.09
Solubility : 1.67 mg/ml ; 0.00812 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.81
Solubility : 0.322 mg/ml ; 0.00156 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.23

Safety of [ 326-90-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 326-90-9 ]

* 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.

  • Downstream synthetic route of [ 326-90-9 ]

[ 326-90-9 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 326-90-9 ]
  • [ 22235-25-2 ]
  • [ 1202635-15-1 ]
  • 2
  • [ 326-90-9 ]
  • [ 7499-66-3 ]
  • 1-(6-bromonaphthalen-2-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
27.3% To a suspension of 6-bromonaphthalen-2-amine (14a) (2.6g. 11.71 inmol) in hydrogen chloride (7.02 mL, 84 mmol) was added a solution of sodium nitrite (0.969 g,14.05 mmol) in water (12 mL) at 0 0 C slowly. After stirring for I h, to this mixture wasadded tin(II) chloride dihydrate (5.28 g, 23.41 mmol) pre-dissolved in hydrogen chloride(7.02 mL, 84 mmol) at such a rate that the temperature was not allowed to exceed 5 0CAfter stirring for 2 h, a solution of 4,4,4-trifluoro-I-(furan-2-yl)butane-l,3-dione (lOb)(2.65 g, 12.88 mmol) in ethanol (24 mL) was added to the mixture and heated at 60 °Covernight. After cooling to room temperature, the reaction mixture was basified to pH 8using 10 N aqueous NaOH (15 rnL) and saturated NaHCO3. The reaction mixture was diluted with ethyl acetate and filtered through a pad of celite. The organic layer was separated and the aqueous layer was extracted with ethyl acetate (50 mL). The organic layers were combined dried, filtered and concentrated in vacuum to furnish crude residuewhich was purified by flash column chromatography (silica gel 12 g, eluting 0-100percent ethyl acetate in hexane) to afford 1 -(6- Bromonaphthalen-2-yl)-5-(furan-2-yl )-3-(tri fluoromethyl)lH-pyrazole (14b) (1.3 g, 3.19 mmol, 27.3 percent yield) as a semisolid; ?H NMR (300 MHz, DMSO-c16) 8.39 (d, J 2.0 Hz, lH), 8.22 (d, J 2.1 Hz, I H), 8.10 (d, .1 8.8 Hz, I H), 8.02 (d, J= 8.8 Hz, I H), 7.78 (dd, J = 8.8, 2.0 Hz, 1 H), 7.75 (dd, .1 1.8, 0.8 Hz, I H), 7.64(dd,.J= 8.8, 2.2 Hz, 11-1), 7.35 (s, 11-1), 6.53 (dd,.J 3.5, 1.8 Hz, 11-1), 6.32 (dd,.J= 3.5, 0.7 Hz, lH); ?9F NMR (300 MHz, DMSO-d6)oe ?60.85: MS (ES+) 406.9, 408.8 (M±l).
  • 3
  • [ 326-90-9 ]
  • [ 5930-94-9 ]
  • 7-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine [ No CAS ]
  • 5-(furan-2-yl)-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine [ No CAS ]
  • 4
  • [ 28710-97-6 ]
  • [ 326-90-9 ]
  • 6-(furan-2-yl)-2-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one [ No CAS ]
  • 5
  • copper(II) nitrate trihydrate [ No CAS ]
  • [ 17217-57-1 ]
  • [ 326-90-9 ]
  • C20H16CuF3N3O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% 0.25mmol of Cu(NO3)2·3H2O was added to 0.25mmol (37muL) of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione (tfa) in acetonitrile (4mL). The solution was stirred for 4h at room temperature. Next, 0.25mmol (0.0540g) of 4,4-dimethoxy-2,2-bipyridine (dmb) previously dissolved in acetonitrile was added dropwise. This new mixture was stirred for another 24h. After some days at room temperature, a green precipitate was removed by filtration, washed with acetonitrile and dried under reduced pressure. (0007) MM: 573.92gmol-1. Yield: 85%. Anal. Calc. for (CuC20H16F3N3O8)1.5H2O: C, 41.85; H, 3.34; N, 7.32%. Found: C, 41.89; H, 2.91; N, 8.08%. ATR-FTIR, nu (cm-1): 3128, 3083, 1589, 1567, 1519, 1503, 1474, 1442, 1421, 1375, 1320, 1287, 1265, 1230, 1191, 1132, 1103, 1078, 1040, 955, 912, 879, 843, 835, 780, 687, 591, 578, 434. UV-Vis (methanol), lambdamax (epsilon)=228 (4.7×104M-1 cm-1), 287 (1.9×104M-1 cm-1), 298 (1.9×104M-1 cm-1), 341 (1.8×104M-1 cm-1), 354 (1.9×104M-1 cm-1), 626 (4.3×101M-1 cm-1), 639 (solid state) nm. LambdaM (methanol)=106.20 S cm2mol-1.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;