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. 17715-69-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 17715-69-4
Chemical Structure| 17715-69-4
Structure of 17715-69-4 * 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 [ 17715-69-4 ]

Related Doc. of [ 17715-69-4 ]

Alternatived Products of [ 17715-69-4 ]
Product Citations

Product Details of [ 17715-69-4 ]

CAS No. :17715-69-4 MDL No. :MFCD00009844
Formula : C8H9BrO2 Boiling Point : -
Linear Structure Formula :C6H3Br(OCH3)2 InChI Key :NIUZVSQOXJIHBL-UHFFFAOYSA-N
M.W : 217.06 Pubchem ID :87266
Synonyms :

Calculated chemistry of [ 17715-69-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.13
TPSA : 18.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.5
Log Po/w (XLOGP3) : 2.57
Log Po/w (WLOGP) : 2.47
Log Po/w (MLOGP) : 2.22
Log Po/w (SILICOS-IT) : 2.49
Consensus Log Po/w : 2.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.08
Solubility : 0.182 mg/ml ; 0.000838 mol/l
Class : Soluble
Log S (Ali) : -2.61
Solubility : 0.538 mg/ml ; 0.00248 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.51
Solubility : 0.0668 mg/ml ; 0.000308 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.64

Safety of [ 17715-69-4 ]

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 [ 17715-69-4 ]

* 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 [ 17715-69-4 ]

[ 17715-69-4 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 151-10-0 ]
  • [ 17715-69-4 ]
  • [ 16932-45-9 ]
  • 2
  • [ 151-10-0 ]
  • [ 17715-69-4 ]
  • [ 16932-45-9 ]
  • [ 20469-65-2 ]
  • 3
  • [ 17715-69-4 ]
  • [ 76041-86-6 ]
  • [ 213479-73-3 ]
  • 4
  • [ 17715-69-4 ]
  • [ 459-04-1 ]
  • [ 872990-99-3 ]
YieldReaction ConditionsOperation in experiment
30% With aluminum (III) chloride; In dichloromethane; at 3 - 8℃; for 0.416667h; Example 47: l-(5-Benzo[6]thien-2-yl-2,4-dimethoxy-phenyl)-2-(4-fluoro-phenyl)- propenone[0420] Ex-47A: l-Bromo-2,4-dimethoxybenzene (1.58 g, 7.27 mmol), 4-fluorophenyl acetyl chloride (1.00 mL, 7.42 mmol) and CH2Cl2 (20 mL) were sequentially charged into a clean reaction vessel and the resulting solution was cooled to 3 0C. AlCl3 (2.0 g, 15.0 mmol) was then added over 20 min and aged at 8 0C. After an additional 5 min, the reaction was poured into 75 mL cold H2O and extracted with EtOAc. The organic cut was washed with saturated NaHCO3, dried with MgSO4, filtered and concentracted to dryness. The crude product was dissolved in EtOAc and crystallized upon hexane addition. The product was filtered and then further purified by silica gel chromatography (20% EtOAc in hexanes) to afford 0.78 g (30% yield) of desired l-(5-bromo-2,4- dimethoxy-phenyl)-2-(4-fluoro-phenyl)-ethanone. 1H-NMR (CDCl3) δ 8.00 (s, IH), 7.13-7.18 (m, 2H), 6.95-7.01 (m, 2H), 6.44 (s, IH), 4.22 (s, 2H), 3.95 (s, 3H), 3.94 (s, 3H).
  • 5
  • [ 17715-69-4 ]
  • [ 133730-34-4 ]
  • [ 3153-72-8 ]
  • 6
  • [ 17715-69-4 ]
  • [ 3153-72-8 ]
  • [ 151-10-0 ]
  • 7
  • [ 17715-69-4 ]
  • [ 570-02-5 ]
  • [ 80202-76-2 ]
YieldReaction ConditionsOperation in experiment
Add (4.23 g, 19.47 mmol) 1-bromo-2,4-dimethoxybenzene (CAS 17715-69-4) to an appropriately sized round bottom flask. Attach a rubber septum to seal the flask. Insert a needle into the septum as a vent and flush the round bottom flask with nitrogen for about 10 minutes. Add (80 mL) anhydrous ether (CAS 60-29-7), followed by the drop wise addition of n-butyllithium (CAS 109-72-8) in hexane (CAS 110-54-3) (1.6M, 12.2 mL). Stir the cloudy mixture for 10 minutes and keep the round bottom flask on ice. Dissolve (2.20 g, 9.74 mmol) of methyl 2,4,6-trimethoxybenzoate (CAS 29723-28-2) in about 20 ml of anhydrous ether (CAS 60-29-7) (more than 20 mL can be used if needed), and then add this drop wise to the reaction mixture. (0163) After the addition is complete, stir the reaction mixture for about 3 minutes longer. Pour the reaction mixture into a separatory funnel containing 5% NH4Cl (aq) (CAS 12125-02-9) (50 mL) and shake until a color change is observed (pale orange). The layers are allowed to separated, and dry the top ether layer with about 5 g anhydrous Na2SO4 (CAS 7757-82-6), filter, and rotovapped to dryness at 35-40 C. under 400 mbar. Place the crude oil of heptamethoxy red (yellow-orange in color) into the freezer. Yield is 3.1 g.
  • 9
  • [ 17715-69-4 ]
  • [ 4038-15-7 ]
  • 10
  • [ 17715-69-4 ]
  • [ 3282-99-3 ]
  • C50H54N2O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
74.9% With tris-(dibenzylideneacetone)dipalladium(0); potassium tert-butylate; tri tert-butylphosphoniumtetrafluoroborate; In toluene; at 100 - 108℃; for 8h;Inert atmosphere; The reaction route is as follows:A 250 mL three-necked flask was charged with 2.66 g (0.01 mol) of 1,1-bis (4-aminophenyl) cyclohexane, 9.75 g(0.045 mol) of 2,4-dimethoxybromobenzene, 5.60 g (0.05 mol) of potassium t-butoxide and 53.2 g of toluene. Nitrogen protection added0.366 g (4.0 × 10 -4 mol) of Pd 2 (dba) 3,0.232 g (8.0 × 10 -4 mol) (t-Bu) 3PH · BF 4,The temperature was raised to 100 C to 108 C and refluxed for 8 hours.Completed the reaction,The reaction solution was filtered,20g toluene leaching cake,The filtrate through a silica gel column,Decompression solvent was reddish brown viscous liquid.The above crude product was treated with THF,Toluene (mass ratio of 3: 3) recrystallization,6.1g white solid was obtained,Yield: 74.9%.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 17715-69-4 ]

Aryls

Chemical Structure| 102127-34-4

[ 102127-34-4 ]

4-Bromo-3-methoxyphenol

Similarity: 1.00

Chemical Structure| 25245-34-5

[ 25245-34-5 ]

2-Bromo-1,4-dimethoxybenzene

Similarity: 0.97

Chemical Structure| 578-57-4

[ 578-57-4 ]

1-Bromo-2-methoxybenzene

Similarity: 0.97

Chemical Structure| 95970-08-4

[ 95970-08-4 ]

2,5-Dibromoanisole

Similarity: 0.95

Chemical Structure| 17332-11-5

[ 17332-11-5 ]

2-Bromo-4-methoxyphenol

Similarity: 0.95

Bromides

Chemical Structure| 102127-34-4

[ 102127-34-4 ]

4-Bromo-3-methoxyphenol

Similarity: 1.00

Chemical Structure| 25245-34-5

[ 25245-34-5 ]

2-Bromo-1,4-dimethoxybenzene

Similarity: 0.97

Chemical Structure| 578-57-4

[ 578-57-4 ]

1-Bromo-2-methoxybenzene

Similarity: 0.97

Chemical Structure| 95970-08-4

[ 95970-08-4 ]

2,5-Dibromoanisole

Similarity: 0.95

Chemical Structure| 17332-11-5

[ 17332-11-5 ]

2-Bromo-4-methoxyphenol

Similarity: 0.95

Ethers

Chemical Structure| 102127-34-4

[ 102127-34-4 ]

4-Bromo-3-methoxyphenol

Similarity: 1.00

Chemical Structure| 25245-34-5

[ 25245-34-5 ]

2-Bromo-1,4-dimethoxybenzene

Similarity: 0.97

Chemical Structure| 578-57-4

[ 578-57-4 ]

1-Bromo-2-methoxybenzene

Similarity: 0.97

Chemical Structure| 95970-08-4

[ 95970-08-4 ]

2,5-Dibromoanisole

Similarity: 0.95

Chemical Structure| 17332-11-5

[ 17332-11-5 ]

2-Bromo-4-methoxyphenol

Similarity: 0.95

; ;