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. 5239-82-7 ] {[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| 5239-82-7
Chemical Structure| 5239-82-7
Structure of 5239-82-7 * 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 [ 5239-82-7 ]

Related Doc. of [ 5239-82-7 ]

Alternatived Products of [ 5239-82-7 ]
Product Citations

Product Details of [ 5239-82-7 ]

CAS No. :5239-82-7 MDL No. :MFCD00041544
Formula : C5H8O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :KVVDRQDTODKIJD-UHFFFAOYSA-N
M.W : 100.12 Pubchem ID :138440
Synonyms :

Calculated chemistry of [ 5239-82-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 25.81
TPSA : 37.3 ?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) : -6.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.09
Log Po/w (XLOGP3) : 0.84
Log Po/w (WLOGP) : 0.81
Log Po/w (MLOGP) : 0.5
Log Po/w (SILICOS-IT) : 0.74
Consensus Log Po/w : 0.8

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.86
Solubility : 13.9 mg/ml ; 0.139 mol/l
Class : Very soluble
Log S (Ali) : -1.21
Solubility : 6.23 mg/ml ; 0.0622 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.18
Solubility : 66.3 mg/ml ; 0.662 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 5239-82-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P280-P305+P351+P338 UN#:3265
Hazard Statements:H302-H315-H318-H335 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 5239-82-7 ]

* 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 [ 5239-82-7 ]

[ 5239-82-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 64-17-5 ]
  • [ 5239-82-7 ]
  • [ 1200828-74-5 ]
YieldReaction ConditionsOperation in experiment
70% Step 1. ethyl bromo(cyclopropyl)acetate Thionyl chloride (0.46 mL, 6.3 mmol) was added dropwise to a solution of cyclopropylacetic acid (0.5 g, 5 mmol) (Oakwood cat003710) in 1,2-dichloroethane (5.2 mL) at room temperature. The reaction was heated to reflux for 2 h then allowed to cool to room temperature, at which time N-bromosuccinimide (1.12 g, 6.27 mmol) and hydrogen bromide (2 mu, 0.04 mmol) (48% aqueous solution) were added successively. The resulting mixture was heated to reflux for 2 days. The reaction mixture was then cooled to room temperature, ethanol (4 mL) was added, and the reaction was stirred at room temperature for an additional 2 h. The reaction mixture was then concentrated to afford the crude product. The crude product was dissolved in carbon tetrachloride and was passed through a short column of silica gel and concentrated to afford ethyl bromo(cyclopropyl)acetate (0.70 g, 70%) as an oil.
Racemic ethyl 2-bromo-2-cyclopropylacetate The above compound was prepared by adding a solution of 2-cyclopropylacetic acid (24.7 g, 247 mmol) in anhydrous DCE (250 mL) to thionyl chloride (22 mL, 302 mmol) dropwise over 5 minutes at 25 C. After refluxing for 2 hours, the reaction was cooled to room temperature, and N-bromosuccinimde (53.6 g, 301 mmol) and hydrogen bromide (48% aqueous solution; 0.195 mL, 1.727 mmol) were added successively at 25 C. The mixture was refluxed for 3 days, then cooled to room temperature. Absolute EtOH (200 mL) was added and the resulting dark brown solution was stirred at room temperature for one hour. The reaction mixture was concentrated under reduced pressure and the residue was suspended in carbon tetrachloride (300 mL) and filtered through a glass filter. The filtrate was concentrated under the reduced pressure. The crude product was purified by flash chromatography (silica-gel, 330 g x 2, 5 % ethyl acetate in hexanes) to provide ethyl 2-bromo-2-cyclopropylacetate. .H NMR (400 MHz, CDCk) delta ppm 4.24 (m, 2 H), 3.58 (d, J=12.0 Hz, 1H), 1.58 (m, 1H), 0.90-0.80 (m, 2 H), 0.53 (m, 1H), 0.42 (m, 1H), 1.3 (t, J = 8.0 Hz, 3 H).
  • 2
  • [ 5239-82-7 ]
  • [ 302800-13-1 ]
  • [ 1447911-05-8 ]
YieldReaction ConditionsOperation in experiment
165 mg Example 15 1- (2- (Cyclopropylmethyl) -l-methyl-lH-benzimidazol-6-yl) -4- ( (4- fluorobenzyl) oxy) pyridin-2 ( 1H) -one A) 6-Bromo-2- (cyclopropylmethyl) -1-methyl-lH-benzimidazole Zinc (212 mg) was added to a mixture of 5-bromo-N-methyl- 2-nitroanilin.e (150 mg) , NH4C1 (347 mg) , eOH (2 ml) and water (1 ml) at room temperature. The mixture was stirred at room temperature for 1 h. After filtration and addition of saturated NaHC03 solution, the mixture was concentrated and extracted with AcOEt . The organic layer was separated, washed with brine, dried over MgS04 and concentrated in vacuo. To the resulting residue, DMF (2.0 ml), cyclopropylacetic acid (0.060 ml), N,N-diisopropylethylamine (0.339 ml) and HATU (259 mg) were added, and the mixture was stirred at room temperature for 1 h. The mixture was. quenched with brine and extracted with EtOAc twice. The organic layer was separated, washed with brine, dried over MgS04, passed through NH silica pad and concentrated in vacuo. The resulting residue was dissolved in AcOH (2.0 ml), and stirred at 80C for i h. After evaporation of the solvent, the residue was purified by NH silica gel column chromatography (hexane/EtOAc) to give the title compound (165 mg). as a purple gum. MS (ESI+) : [M+H] + 265.1.
  • 3
  • [ 5239-82-7 ]
  • [ 1200828-74-5 ]
  • 4
  • [ 5239-82-7 ]
  • [ 337915-79-4 ]
  • [ 1447911-04-7 ]
  • 5
  • [ 5239-82-7 ]
  • [ 337915-79-4 ]
  • [ 1447911-05-8 ]
YieldReaction ConditionsOperation in experiment
96% General procedure: HATU (4.89 g, 12.9 mmol) was added to a solution of the intermediate 4-bromo-N2-ethylbenzene-1,2-diamine, DIPEA (6.40 mL, 36.7 mmol), and cyclopropanecarboxylic acid (0.98 mL, 12.2 mmol) in DMF (40 mL), and the mixture was stirred at rt for 1 h. The mixture was quenched with water and extracted with EtOAc. The organic layer was separated, washed with water and brine, dried over MgSO4, and concentrated in vacuo. The residue was dissolved in AcOH (40 mL) and the mixture was stirred at 80 C for 1 h. After concentration of the mixture, the residue was neutralized with satd NaHCO3 solution and extracted with EtOAc. The organic layer was separated, washed with water and brine, dried over MgSO4, and concentrated in vacuo. The residue was purified by column chromatography (silica gel, hexane/EtOAc = 100/0 to 0/100) to give the title compound (1.2 g, 37%) as a pale yellow solid.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;