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. 302348-51-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 302348-51-2
Chemical Structure| 302348-51-2
Structure of 302348-51-2 * 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 [ 302348-51-2 ]

Related Doc. of [ 302348-51-2 ]

Alternatived Products of [ 302348-51-2 ]
Product Citations

Product Details of [ 302348-51-2 ]

CAS No. :302348-51-2 MDL No. :MFCD09837617
Formula : C13H19BO3 Boiling Point : No data available
Linear Structure Formula :HOCH2C6H4B(OC(CH3)2C(CH3)2O) InChI Key :GZZBZWITJNATOD-UHFFFAOYSA-N
M.W : 234.10 Pubchem ID :11402050
Synonyms :
Chemical Name :(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol

Calculated chemistry of [ 302348-51-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.54
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 69.05
TPSA : 38.69 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.02
Log Po/w (WLOGP) : 1.33
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 1.71
Consensus Log Po/w : 1.24

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.69
Solubility : 0.474 mg/ml ; 0.00203 mol/l
Class : Soluble
Log S (Ali) : -2.46
Solubility : 0.812 mg/ml ; 0.00347 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.83
Solubility : 0.0344 mg/ml ; 0.000147 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.86

Safety of [ 302348-51-2 ]

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

Application In Synthesis of [ 302348-51-2 ]

* 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 [ 302348-51-2 ]

[ 302348-51-2 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 128376-64-7 ]
  • [ 302348-51-2 ]
YieldReaction ConditionsOperation in experiment
513 mg With sodium tetrahydroborate; at 20℃; for 5h; To a mixture of a4-formylbenzenboronic acid (1a, 375 mg, 2.50 mmol), pinacol (355 mg, 3.00 mmol) and anhydrous magnesium sulfate (625 mg, 5.00 mmol), methanol was added (12.50 mL). The mixture was stirred at room temperature for 6 h. After the reaction was completed, the crude solution was filtered, and then sodium borohydride (47 mg, 1.25 mmol) was added to the filtrate. Afterwards, the reaction mixture was stirred for an additional 5 h. Once the reaction was completed, the reaction mixture was filtered and the filtrate was concentrated in vacuo to give the desired product 2a as a white solid (m.p. 75?77 °C) in88percent yield (513 mg). 1H-NMR (CD3OD-d4) delta ppm 7.71 (d, J = 8.0 Hz, 2H), 7.35 (d, J = 7.8 Hz, 2H),4.62 (s, 2H), 1.34 (s, 12H); 13C-NMR (CD3OD-d4) delta ppm 146.23, 135.93, 127.26, 85.19, 65.24, 25.34;11B-NMR (CDCl3) delta ppm 34.82.
  • 2
  • [ 302348-51-2 ]
  • [ 138500-85-3 ]
YieldReaction ConditionsOperation in experiment
94% With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 18h;Inert atmosphere; 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-l,3,2-dioxaborolane (3) The compound 2(1 eq, 5.72 mmol) was dissolved in THF (25 mL) followed by the addition of triphenylphosphine (2 eq, 11.4 mmol). The mixture was cooled to 0C with an ice bath then tetrabromomethane (2 eq, 11.4 mmol) was carefully added portion wise. The reaction was stirred at rt for 18h. The solution was poured into water (30 mL) and extracted 3 times (3 x 25 mL) with EtOAc. The combined organic extracts were dried, filtered and evaporated under vacuum. The compound was purified using column chromatography (silica gel, 99/1Hex/EtOAc) to afford the desired compound (Rf = 0.2) as a colourless solid (1.6 g, 94%). 1H-NMR (CDCI3, 600 MHz) delta 7.78 (d, J = 8.0 Hz, 2H), 7.38 (d, J = 8.0 Hz, 2H), 4.49 (s, 2H), 1.34 (s, 12H); 13C-NMR (CDC13, 150 MHz) delta 140.8, 135.3, 128.4, 84.0, 33.4, 25.0.
92% With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 20℃; for 4h;Cooling with ice; 4-hydroxymethylphenylboronic acid, pinacol ester (1.08 g, 4.61 mmol) was dissolved in THF (20 ml) together with triphenylphosphine (2.42 g, 9.23mmol). The reaction mixture was cooled in an ice-water bath, and carbon tetrabromide (3.06 g, 9.23 mmol) was added portion wise. After stirring for 4 hours at room temperature, the reaction mixture was poured into water and extracted with ethyl acetate. The organic layer was combined and dried by sodium sulfate. After filtration, the solvent was evaporated, and the residue was purified by flash chromatography to give the product as a white solid (1.72 g, 92%). 1H NMR (300 MHz, CD2C12, delta): 7.62 (d, J = 6.0 Hz, 2H), 7.32 (d, J = 6.0 Hz, 2H), 4.58 (d, 2H), 1.34 (s, 9H); MS (ESI) m/z 297.0.
  • 3
  • [ 545-06-2 ]
  • [ 302348-51-2 ]
  • [ 911707-70-5 ]
  • 4
  • [ 302348-51-2 ]
  • C21H27BO4 [ No CAS ]
  • 5
  • [ 302348-51-2 ]
  • 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]
  • 6
  • [ 76-09-5 ]
  • sodium-compound of pinacol [ No CAS ]
  • [ 302348-51-2 ]
  • 8
  • C19H16N2O6 [ No CAS ]
  • [ 302348-51-2 ]
  • [ 1018786-02-1 ]
  • 9
  • [ 1018781-12-8 ]
  • [ 302348-51-2 ]
  • Peroxy Lucifer 1 [ No CAS ]
  • 10
  • C28H53NO4Si3 [ No CAS ]
  • [ 302348-51-2 ]
  • C41H72BNO7Si3 [ No CAS ]
  • 11
  • C21H25NO5 [ No CAS ]
  • [ 302348-51-2 ]
  • C34H44BNO8 [ No CAS ]
  • 12
  • [ 57876-69-4 ]
  • [ 302348-51-2 ]
  • [ 1160829-14-0 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;