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. 74427-22-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 74427-22-8
Chemical Structure| 74427-22-8
Structure of 74427-22-8 * 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 [ 74427-22-8 ]

Related Doc. of [ 74427-22-8 ]

Alternatived Products of [ 74427-22-8 ]
Product Citations

Product Details of [ 74427-22-8 ]

CAS No. :74427-22-8 MDL No. :MFCD02093342
Formula : C3H3F5O3S Boiling Point : -
Linear Structure Formula :F2HCCH2OSO2CF3 InChI Key :NKULBUOBGILEAR-UHFFFAOYSA-N
M.W : 214.11 Pubchem ID :2774089
Synonyms :
Chemical Name :2,2-Difluoroethyltrifluoromethanesulphonate

Calculated chemistry of [ 74427-22-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 8.0
Num. H-bond donors : 0.0
Molar Refractivity : 26.88
TPSA : 51.75 ?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) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.17
Log Po/w (XLOGP3) : 1.71
Log Po/w (WLOGP) : 4.3
Log Po/w (MLOGP) : 0.91
Log Po/w (SILICOS-IT) : 1.56
Consensus Log Po/w : 1.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.98
Solubility : 2.24 mg/ml ; 0.0105 mol/l
Class : Very soluble
Log S (Ali) : -2.41
Solubility : 0.828 mg/ml ; 0.00387 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.45
Solubility : 7.58 mg/ml ; 0.0354 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.57

Safety of [ 74427-22-8 ]

Signal Word:Danger Class:8,3
Precautionary Statements:P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405 UN#:2920
Hazard Statements:H314-H226-H290 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 74427-22-8 ]

* 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 [ 74427-22-8 ]

[ 74427-22-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 14180-51-9 ]
  • [ 74427-22-8 ]
  • (E)-ethene-1,2-diylbis(bis(4’-methoxylphenyl)phenylphosphonium)ditriflate [ No CAS ]
YieldReaction ConditionsOperation in experiment
91% at 120℃; for 6h;Inert atmosphere; Schlenk technique; General procedure: A. TfOCH2CF2H(0.514 g, 2.4 mmol) and triphenylphosphine (0.525 g, 2 mmol) were placed in aclosed Schlenk flask under a N2 atmosphere. The mixture was stirredat 120 oC for 24 h and cooled to room temperature. The resultingsolid was washed by diethyl ether, recrystallized from CH2Cl2/hexane,and dried in vacuum to give 0.66 g of (E)-ethene-1,2-diylbis(triphenylphosphonium)ditriflate (3a) as a white solid (0.78 mmol, 78%).2
  • 2
  • [ 85290-78-4 ]
  • [ 74427-22-8 ]
  • ethyl 1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carboxylate [ No CAS ]
  • ethyl 1-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
13%; 7% With caesium carbonate; In acetonitrile; at 60℃; for 2h; Ethyl 3-methyl-1H-pyrazole-4-carboxylate (0.300 g, 1.95 mmol) was dissolved in dry MeCN (15 mL), then 2,2-difluoroethyl trifluoromethanesulfonate (0.3 11 mL, 2.34 mmol) was added, followed by cesium carbonate (0.951 g, 2.92 mmol) and the reaction mixture was stirred at 60 C for 2 h. The reaction mixture was cooled to rt and dilutedwith EtOAc. Then CELITE was added, and the solvent was removed under reduced pressure. The residue was purified by flash chromatography and was further purified by chiral SFC to afford two products.Intermediate 20A (0.056 g, 13% yield) as a colorless oil, which solidified upon standing. MS(ESI) 219.0 (M+H) ?H NMR (400MHz, DMSO-d6) oe ppm 7.89 (s, 1H),6.29 - 5.90 (m, 1H), 4.38 (td, J13.4, 4.4 Hz, 2H), 4.28 (q, J=7.0 Hz, 2H), 2.46 (s, 3H),1.34 (t, J=7.2 Hz, 3H); ?9F-NMR: (376 MHz, CDC13) oe ppm -122.64 (s, 2F). Intermediate 21A (0.032 g, 7% yield) as a colorless oil. MS(ESI) 219.0 (M+H)?H NMR (400MHz, DMSO-d6) oe ppm 7.90 (s, 1H), 6.29 - 5.91 (m, 1H), 4.41 (td, J13.2,4.4 Hz, 2H), 4.30 (q, J7.1 Hz, 2H), 2.58 (s, 3H), 1.35 (t, J=7.2 Hz, 3H); ?9F-NMR: (376MHz, CDC13) oe ppm -122.36 (s, 2F).
  • 3
  • [ 28466-26-4 ]
  • [ 74427-22-8 ]
  • N-(2,2-difluoroethyl)-1H-pyrazol-4-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; triethylamine; In acetonitrile; at 120℃; To a solution of <strong>[28466-26-4]1H-pyrazol-4-amine</strong> (300 mg, 95% purity, 3.43 mmol) in acetonitrile(17 mL) were added 2,2-difluoroethyl trifluoromethanesulfonate (690 p1, 5.1 mmol, CASRN 74427-22-8), powdered potassium carbonate (1 .06 g, 7.65 mmol), and triethylamine (720 pL, 5.1 mmol). The mixture was heated to 12000 overnight. For work-up, it was filtered, and the solid was rinsed with ethyl acetate. Concentraction of the filtrate in vacuo followed by flash chromatography led to the title compound (505 mg, 90% yield, 90%purity).LC-MS (Method B): Rt = 0.43 mm MS (ESIpos): mlz = 148 (M--H)1HNMR (400MHz, DMSO-d6) oe [ppm]: 3.23 (tdd, 2H), 4.72 (t, 1H), 6.05 (tt, 1H), 7.12 (s,2H), 12.10 (s, 1H).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;