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. 13826-27-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 13826-27-2
Chemical Structure| 13826-27-2
Structure of 13826-27-2 * 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 [ 13826-27-2 ]

Related Doc. of [ 13826-27-2 ]

Alternatived Products of [ 13826-27-2 ]
Product Citations

Product Details of [ 13826-27-2 ]

CAS No. :13826-27-2 MDL No. :MFCD09842343
Formula : C12H8B2O4 Boiling Point : -
Linear Structure Formula :C6H4O2B2O2C6H4 InChI Key :WYBQOWXCLDXZNR-UHFFFAOYSA-N
M.W : 237.81 Pubchem ID :3488065
Synonyms :

Calculated chemistry of [ 13826-27-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 66.9
TPSA : 36.92 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.66
Log Po/w (WLOGP) : 1.98
Log Po/w (MLOGP) : 0.83
Log Po/w (SILICOS-IT) : -0.22
Consensus Log Po/w : 1.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.05
Solubility : 0.0213 mg/ml ; 0.0000896 mol/l
Class : Moderately soluble
Log S (Ali) : -4.12
Solubility : 0.0179 mg/ml ; 0.0000751 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.95
Solubility : 0.0266 mg/ml ; 0.000112 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.0

Safety of [ 13826-27-2 ]

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 [ 13826-27-2 ]

* 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 [ 13826-27-2 ]

[ 13826-27-2 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 76-09-5 ]
  • [ 13826-27-2 ]
  • [ 71017-75-9 ]
  • [ 475250-52-3 ]
  • 2
  • [ 76-09-5 ]
  • [ 13826-27-2 ]
  • 2,4,6-triphenyl-1-(tetrahydro-2H-pyran-4-yl)pyridin-1-ium tetrafluoroborate [ No CAS ]
  • [ 1131912-76-9 ]
  • 3
  • [ 13826-27-2 ]
  • [ 17024-12-3 ]
  • C20H13BO2 [ No CAS ]
  • 4
  • [ 25637-18-7 ]
  • [ 13826-27-2 ]
  • [ 1131912-76-9 ]
  • 5
  • [ 76-09-5 ]
  • [ 13826-27-2 ]
  • 4-methoxybenzyl methyl oxalate [ No CAS ]
  • [ 475250-52-3 ]
  • 6
  • [ 76-09-5 ]
  • [ 13826-27-2 ]
  • 3-chlorobenzoic tetrahydro-2H-pyran-4-carboxylic peroxyanhydride [ No CAS ]
  • [ 1131912-76-9 ]
  • 7
  • [ 25637-16-5 ]
  • [ 76-09-5 ]
  • [ 13826-27-2 ]
  • [ 1131912-76-9 ]
  • 8
  • [ 76-09-5 ]
  • [ 111-83-1 ]
  • [ 13826-27-2 ]
  • [ 66217-56-9 ]
YieldReaction ConditionsOperation in experiment
81% In a glove box under a nitrogen atmosphere, B2cat2 (0.45 mmol, 1.5 equiv, 107.0 mg), AIBN (0.33 mmol, 1.1 equiv, 54.2 mg), 2 mL of solvent N,N-dimethylacetamide, TTMSS (0.33 mmol, 1.1 equiv, 101.8 μL) and bromo-n-octane (0.3 mmol, 52.3 μL). The capped Schlenk bottle was removed from the glove box, and the reaction mixture was stirred at 80 C for 6 hours. After cooling to room temperature, pinacol (141.8 mg, 4.0 equivalents) was added to the reaction flask, 1.0 mL of triethylamine was added, and the mixture was stirred at room temperature for 1 hour. Subsequently, the reaction mixture was transferred to a 125 mL separatory funnel through 30 mL of ethyl acetate, and then 30 mL of water was added thereto for water washing, and then the aqueous phase was extracted 3 times with 30 mL of ethyl acetate. After washing with 100 mL of saturated saline, the organic phase was dried over anhydrous sodium sulfate and filtered, and then 2.0 mL of TBAF (1 mol / L in THF) was added to remove silicon-containing by-products generated by the reaction. Add a small spoon of 200-300 mesh silica gel, remove the solvent under reduced pressure, adsorb the mixture onto silica gel, and purify by column chromatography. The developing agent used is petroleum ether / ethyl acetate volume ratio 50: 1 30: 1 mixed solution to obtain the desired product pinocyl alcohol n-octyl borate 58.4mg, yield 81%.
  • 9
  • [ 76-09-5 ]
  • [ 629-27-6 ]
  • [ 13826-27-2 ]
  • [ 66217-56-9 ]
YieldReaction ConditionsOperation in experiment
80% In the dried reaction tube, add B2cat2 (4.0eq., 576mg), nBu4NBF4 (50mol%, 99mg), and add the electrode material to the above reaction tube, seal the reaction system, and replace it with inert gas (Ar) three times. A syringe was used to inject 1-iodooctane (0.6 mmol, 144 mg) and DMF (6 mL) into the above three-port reaction tube, and the reaction was conducted for 12 minutes at 25 C. with a current of 200 mA. After the reaction, pinacol (8.0eq., 567mg) and Et3N (1.5mL) were injected into the reaction system and stirred for 1h. The reaction was terminated, and the reaction solution was quenched with 15 mL of saturated sodium chloride solution, and then extracted with ethyl acetate (15 mL×3) for multiple times. The organic phases were combined, and the solvent was removed on the rotary evaporator. Finally, it is separated by silica gel column chromatography (eluent: ethyl acetate: petroleum ether = 1:150) to obtain 4,4,5,5-tetramethyl-2-octyl-1,3,2-di Oxaborane (116 mg, isolated yield: 80%), the compound is a colorless liquid.
  • 10
  • [ 76-09-5 ]
  • [ 111-85-3 ]
  • [ 13826-27-2 ]
  • [ 66217-56-9 ]
Recommend Products
Same Skeleton Products
Historical Records
; ;