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. 4519-39-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4519-39-5
Chemical Structure| 4519-39-5
Structure of 4519-39-5 * 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 [ 4519-39-5 ]

Related Doc. of [ 4519-39-5 ]

Alternatived Products of [ 4519-39-5 ]
Product Citations

Product Details of [ 4519-39-5 ]

CAS No. :4519-39-5 MDL No. :MFCD00010267
Formula : C7H4F2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :JLZVIWSFUPLSOR-UHFFFAOYSA-N
M.W : 158.10 Pubchem ID :370590
Synonyms :

Calculated chemistry of [ 4519-39-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 33.32
TPSA : 37.3 ?2

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) : -5.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.06
Log Po/w (XLOGP3) : 1.87
Log Po/w (WLOGP) : 2.5
Log Po/w (MLOGP) : 2.47
Log Po/w (SILICOS-IT) : 2.06
Consensus Log Po/w : 1.99

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.34
Solubility : 0.729 mg/ml ; 0.00461 mol/l
Class : Soluble
Log S (Ali) : -2.27
Solubility : 0.839 mg/ml ; 0.00531 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.32
Solubility : 0.764 mg/ml ; 0.00483 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.18

Safety of [ 4519-39-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4519-39-5 ]

* 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 [ 4519-39-5 ]

[ 4519-39-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 13754-19-3 ]
  • [ 4519-39-5 ]
  • 8-(2,3-difluorophenyl)-purine [ No CAS ]
YieldReaction ConditionsOperation in experiment
4,5-Diaminopyrimidine (1) (4.5 g, 0.04 moles) and 2,3-difluorobenzoic acid (2) (6.95 g, 0.044 moles) were suspended in 100 mL of Eaton's Acid. The reaction mixture was heated in an oil bath at 190 C. for 2 hours and then poured into 800 mL ice/water. Solid sodium hydroxide was added (59 g, 1.5 moles) to adjust to pH 5, which resulted in the product precipitating from solution. The product was filtered and washed twice with deionized water and air dried. The crude product was recrystallized from water/ethanol resulting in 8 g of pure product (3) (M+1=233). Purine (3) (500 mg, 2.15 mmoles) was dissolved in 10 mL of anhydrous DMF and 1.1 mL of sodium hydroxide solution (10% w/v) was added. 5-(Chloromethyl)-3-(4-chlorophenyl)isoxazole (4) (587 mg, 2.6 mmoles) was added to the above reaction mixture and the solution was stirred at room temperature overnight. The crude product was triturated from water followed by recrystallization from hot ethyl acetate. The precipitate was filtered to yield 30 mg of the gold colored solid 1-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-8-(2,3-difluorophenyl)-1H-purine 5) in high purity as determined by analytical LC/MS (M+1=429) and 1H NMR (400 MHz, DMSO-d6) delta 5.99 (s, 2H), 7.17 (s, 1H), 7.34 (m, 1H), 7.55 (s, 1H), 7.56 (d, 2H), 7.87 (d, 2H), 8.14 (m, 1H), 9.14 (s, 1H), 9.32 (s, 1H).
  • 2
  • [ 4519-39-5 ]
  • [ 61070-98-2 ]
  • [ 1105062-83-6 ]
YieldReaction ConditionsOperation in experiment
2,3-Difluoro-benzoic acid (lOOmg), HATU (345.6 mg), and diisopropylethylamine (3 eq.) were added to DMF (90OuL) and stirred for 15 minutes. Pyridazine-3,4-diamine was added and the reaction mixture was stirred at room temperature overnight. The reaction mixture was evaporated, partitioned between water and ethyl acetate. The organic fraction was dried with sodium sulfate and concentrated in vacuo. The residue was then heated in acetic acid at reflux for one day. The mixture was evaporated and purified via reverse-phase HPLC to give 136 mg of 6-(2,3-difluoro-phenyl)-2H- imidazo[4,5-c]pyridazine. MS: 233.1 (M+H+) H'-NMR (DMSOd6): ￡(prhom) 9.04 (d, IH, 5.8Hz), 8.08 (m, IH), 7.96 (d, IH, 5.3 Hz) 7.70 (m, IH) 7.44 (m, IH)
General Procedure JSynthesis of Compounds 245-2476-(2,3-difluoro-phenyl)-2H-imidazo[4,5-c]pyridazinePyridazine-3,4-diamine was synthesized as described by Kuraishi et al. in J. Het. Chem. 1964, 1, 42-47. MS: 111.1 (M+H+); H1-NMR (DMSO-d6): delta (ppm) 8.2-8.3 (m, 3H), 7.31 (s, 2H), 6.73 (d, 1H, 6.1 Hz).2,3-Difluoro-benzoic acid (100 mg), HATU (345.6 mg), and diisopropylethylamine (3 eq.) were added to DMF (900 uL) and stirred for 15 minutes. Pyridazine-3,4-diamine was added and the reaction mixture was stirred at room temperature overnight. The reaction mixture was evaporated, partitioned between water and ethyl acetate. The organic fraction was dried with sodium sulfate and concentrated in vacuo. The residue was then heated in acetic acid at reflux for one day. The mixture was evaporated and purified via reverse-phase HPLC to give 136 mg of 6-(2,3-difluoro-phenyl)-2H-imidazo[4,5-c]pyridazine. MS: 233.1 (M+H+) H1-NMR (DMSO-d6): delta (ppm) 9.04 (d, 1H, 5.8 Hz), 8.08 (m, 1H), 7.96 (d, 1H, 5.3 Hz) 7.70 (m, 1H) 7.44 (m, 1H)
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;