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. 338454-30-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 338454-30-1
Chemical Structure| 338454-30-1
Structure of 338454-30-1 * 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 [ 338454-30-1 ]

Related Doc. of [ 338454-30-1 ]

Alternatived Products of [ 338454-30-1 ]
Product Citations

Product Details of [ 338454-30-1 ]

CAS No. :338454-30-1 MDL No. :MFCD06409944
Formula : C14H15BO3 Boiling Point : -
Linear Structure Formula :- InChI Key :QPXFEWQLALNXEZ-UHFFFAOYSA-N
M.W : 242.08 Pubchem ID :17750522
Synonyms :

Calculated chemistry of [ 338454-30-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.14
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 72.21
TPSA : 49.69 ?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) : -5.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.66
Log Po/w (WLOGP) : 1.1
Log Po/w (MLOGP) : 1.8
Log Po/w (SILICOS-IT) : 1.26
Consensus Log Po/w : 1.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.25
Solubility : 0.137 mg/ml ; 0.000568 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.107 mg/ml ; 0.000442 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.34
Solubility : 0.011 mg/ml ; 0.0000453 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.2

Safety of [ 338454-30-1 ]

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 [ 338454-30-1 ]

* 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 [ 338454-30-1 ]

[ 338454-30-1 ] Synthesis Path-Downstream   1~13

  • 1
  • [ 198275-89-7 ]
  • [ 338454-30-1 ]
  • [ 309947-26-0 ]
  • 2
  • C16H19BO3 [ No CAS ]
  • [ 338454-30-1 ]
  • 3
  • [ 2362-12-1 ]
  • [ 338454-30-1 ]
  • 4
  • [ 338454-32-3 ]
  • [ 338454-30-1 ]
YieldReaction ConditionsOperation in experiment
65% 4-Bromo-1-benzyloxy-2-methyl-benzene (6.9 g; 25 mmol) is dissolved in tetrahydrofuran (37.5 ml; dried over a molecular sieve) and the solution is cooled to -78 C. A 1.6 M n-butyllithium solution in n-hexane (17 ml; 27.5 mmol) is added dropwise in the course of 30 minutes such that the temperature does not rise above -70 C. After a further 10 minutes at this temperature, trimethyl borate (8.3 ml; 75 mmol) is added dropwise in the course of 25 minutes at below -70 C. The reaction mixture is allowed to warm slowly to room temperature overnight. It is then cooled to 0 C. and an aqueous 1 N hydrochloric acid solution is added dropwise. The reaction mixture is diluted with water and ethyl acetate, the phases are separated and the aqueous phase is re-extracted with ethyl acetate. The combined organic phases are washed successively with water and a saturated aqueous sodium chloride solution, dried over magnesium sulphate, filtered with suction and concentrated. [00235] Yield: 3.95 g (65%) 4-benzyloxy-3-methyl-phenylboron acid as a white powder. [00236] MS(ISN): 301.2 (M-H)-
  • 5
  • [ 100-39-0 ]
  • polymer-bound NMe3(1+)*SCN(1-) [ No CAS ]
  • [ 338454-30-1 ]
  • 6
  • [ 338454-30-1 ]
  • 3-(4'-Benzyloxy-3'-methylbiphenyl-4-yloxy)propane-1,2-diol [ No CAS ]
  • 7
  • [ 1374341-97-5 ]
  • [ 338454-30-1 ]
  • [ 1374341-98-6 ]
YieldReaction ConditionsOperation in experiment
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In water; acetonitrile; at 80℃; for 48.0h;Inert atmosphere; Step E. Ethyl 1-{6-[4'-(benzyloxy-4-chloro-3'-methylbiphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate To a flask containing the product from the above Step D (2.11 g, 3.88 mmol) were added <strong>[338454-30-1][4-(benzyloxy)-3-methylphenyl]boronic acid</strong> (1.410 g, 5.83 mmol) and dichloro bis(triphenylphosphine)palladium (0.41 g, 0.58 mmol). Acetonitrile (25 mL) and sodium carbonate (7.77 mL of 1.0 M aqueous solution, 7.77 mmol) were added, and the resulting mixture was degassed via nitrogen sparge. The reaction mixture was stirred at 80 C. for 48 h, then was allowed to cool to room temperature and was poured into water. The mixture was extracted with EtOAc, and the organic phase was concentrated in vacuo. Purification by chromatography on silica gel (0 to 25% EtOAc in hexanes, then 30 to 100% EtOAc in hexanes) provided the title compound: LCMS m/z 591.9 [M+H]+; 1H NMR (500 MHz, CDCl3) delta 8.15 (s, 1H), 7.74 (d, J=2.2 Hz, 1H), 7.59 (t, J=7.9 Hz, 1H), 7.48-7.31 (m, 8H), 6.98 (d, J=1.8 Hz, 1H), 6.93 (d, J=7.7 Hz, 1H), 6.87 (dd, J=8.4, 2.2 Hz, 1H), 6.77 (d, J=8.4 Hz, 1H), 5.06 (s, 2H), 4.40 (q, J=7.1 Hz, 2H), 2.21 (s, 3H), 1.40 (t, J=7.2 Hz, 3H).
  • 8
  • tert-butyl 3-(6-chloro-3,4-dihydro-2,7-naphthyridin-2(1H)-yl)propanoate [ No CAS ]
  • [ 338454-30-1 ]
  • tert-butyl 3-(6-(4-(benzyloxy)-3-methylphenyl)-3,4-dihydro-2,7-naphthyridin-2(1H)-yl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
68.4% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In N,N-dimethyl-formamide; at 120℃; for 0.5h;Inert atmosphere; This compound was prepared from compound XXIa in accordance with scheme 2 using 4-benzyloxy-3-methylphenylboronic acid (compound VI with R?=H, R?3- CH3). Compound XXIa (445 mg; 1.50 mmol; 1 eq) was dissolved in 10 mL DMF. 4- benzyloxy-3-methylphenylboronic acid (436 mg; 1.80 mmol; 1.2 eq) and sodiumcarbonate (397 mg; 3.75 mmol; 2.5 eq) were added under stirring and the mixtures was degassed with argon for 5 mi Tetrakis(triphenylphosphine)-palladium(0) (87 mg; 0.075 mmol; 0.05 eq) was added and the mixture was stirred for 30 mm at 120C. The mixture was evaporated. The residue was extracted with DCM/water. After phase separation, the organic phase was washed one with water, dried withMgSO4 and evaporated. The oily residue was dissolved in DCM and purified by flash chromatography (silica gel, DMC/MeOH 95:5 giving the product with a yield of 470mg (1.025 mmol; 68.4%).
  • 9
  • [ 1151665-15-4 ]
  • [ 338454-30-1 ]
  • tert-butyl 2-(4-(benzyloxy)-3-methylphenyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
39.9% With sodium carbonate; In N,N-dimethyl-formamide; at 120℃; for 1.0h;Inert atmosphere; Compound IXc was prepared in accordance with scheme 2 starting from tert-butyl2-chloro- 7,8- dihydro- 1, 6-naphthyridine- 6(5H)-carboxylate instead of compound IIIusing <strong>[338454-30-1](4-(benzyloxy)-3-methylphenyl)boronic acid</strong> (compound VI with R?=H,R?=CH3). Tert-butyl 2-chloro- 7,8- dihydro- 1,6- naphthyridine- 6(5H) -carboxylate (500mg; 1.86 mmol; 1 eq) and <strong>[338454-30-1](4-(benzyloxy)-3-methylphenyl)boronic acid</strong> (540 mg;2.233 mmol; 1.2 eq) were dissolved in DMF (15 mL) to give a yellow solution.Sodium carbonate (493 mg; 4.65 mmol; 2.5 eq) was added and the mixtures wasdegassed with argon for 30 mm.Tetrakis(triphenylphosphine)-palladium(0) (107 mg; 0.093 mmol; 0.05 eq) was added and the mixture was stirred for lh at 120C. The reaction mixture was evaporated and the residue was dissolved in DCM. The crude product was subsequently washed with water and a saturated NaC1 solution. The organic phasewas dried over Mg504, filtered and evaporated. The residue was absorbed on Celite XTR and purified by flash chromatography (12g silica gel, 0-10% MeOH in DCM) giving tert-butyl 2- (4- (benzyloxy) - 3-methylphenyl) -7,8- dihydro- 1,6- naphthyridine6(5H)-carboxylate with a yield of 320 mg (0.743 mmol; 39.9%).
  • 10
  • [ 338454-30-1 ]
  • 2-(2-(4-(benzyloxy)-3-methylphenyl)-7,8-dihydro-1,6-naphthyridin-6(5H)yl)acetic acid [ No CAS ]
  • 11
  • [ 338454-30-1 ]
  • methyl 2-(2-(4-(benzyloxy)-3-methylphenyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)acetate [ No CAS ]
  • 12
  • [ 338454-30-1 ]
  • 2-(2-(3-methyl-4-((4-(trifluoromethyl)benzyl)oxy)phenyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)acetic acid [ No CAS ]
  • 13
  • [ 338454-30-1 ]
  • methyl 2-(2-(4-hydroxy-3-methylphenyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)acetate [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 338454-30-1 ]

Organoboron

Chemical Structure| 146631-00-7

[ 146631-00-7 ]

(4-(Benzyloxy)phenyl)boronic acid

Similarity: 0.96

Chemical Structure| 156682-54-1

[ 156682-54-1 ]

(3-(Benzyloxy)phenyl)boronic acid

Similarity: 0.95

Chemical Structure| 850568-08-0

[ 850568-08-0 ]

4-Ethoxy-3-methylphenylboronic acid

Similarity: 0.95

Chemical Structure| 847560-49-0

[ 847560-49-0 ]

4-Benzyloxy-2-methylphenylboronic acid

Similarity: 0.93

Chemical Structure| 227305-69-3

[ 227305-69-3 ]

2,3-Dihydrobenzofuran-5-boronic acid

Similarity: 0.92

Aryls

Chemical Structure| 146631-00-7

[ 146631-00-7 ]

(4-(Benzyloxy)phenyl)boronic acid

Similarity: 0.96

Chemical Structure| 156682-54-1

[ 156682-54-1 ]

(3-(Benzyloxy)phenyl)boronic acid

Similarity: 0.95

Chemical Structure| 850568-08-0

[ 850568-08-0 ]

4-Ethoxy-3-methylphenylboronic acid

Similarity: 0.95

Chemical Structure| 847560-49-0

[ 847560-49-0 ]

4-Benzyloxy-2-methylphenylboronic acid

Similarity: 0.93

Chemical Structure| 850568-09-1

[ 850568-09-1 ]

4-Isopropoxy-3-methylphenylboronic acid

Similarity: 0.92

Ethers

Chemical Structure| 146631-00-7

[ 146631-00-7 ]

(4-(Benzyloxy)phenyl)boronic acid

Similarity: 0.96

Chemical Structure| 156682-54-1

[ 156682-54-1 ]

(3-(Benzyloxy)phenyl)boronic acid

Similarity: 0.95

Chemical Structure| 850568-08-0

[ 850568-08-0 ]

4-Ethoxy-3-methylphenylboronic acid

Similarity: 0.95

Chemical Structure| 847560-49-0

[ 847560-49-0 ]

4-Benzyloxy-2-methylphenylboronic acid

Similarity: 0.93

Chemical Structure| 850568-09-1

[ 850568-09-1 ]

4-Isopropoxy-3-methylphenylboronic acid

Similarity: 0.92

; ;