Home Cart Sign in  
Chemical Structure| 850589-47-8 Chemical Structure| 850589-47-8

Structure of 850589-47-8

Chemical Structure| 850589-47-8

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 850589-47-8 ]

CAS No. :850589-47-8
Formula : C9H11BClNO3
M.W : 227.45
SMILES Code : CN(C)C(=O)C1=C(Cl)C=C(C=C1)B(O)O
MDL No. :MFCD07363772
InChI Key :FRYXYHGYFIBOQR-UHFFFAOYSA-N
Pubchem ID :44119415

Safety of [ 850589-47-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 850589-47-8 ]

* 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 [ 850589-47-8 ]

[ 850589-47-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 858671-91-7 ]
  • [ 850589-47-8 ]
  • [ 589-87-7 ]
  • tert-butyl 5-[3'-chloro-4’-(dimethylcarbamoyl)biphenyl-4-yl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
44 mg A mixture of tert-butyl 2,5-diazabicyclo[2.2.2joctane-2-carboxylate (1.29 g, 6.08 mmol), p15 bromoiodobenzene (1.89 g, 6.68 mmol), CuT (1.16 g, 6.08 mmol), Cesium Carbonate (7.9 g, 24.3mmol), and 2-(2-methyl-1-oxopropyl)cyclohexanone (2.03 mL, 12.15 mmol) was stirred in DMF (20.3 mL) at 100 C overnight. The mixture was then extracted with EtOAc and water, the organic layer was dried over magnesium sulfate, and the solvents were removed in vacuo to give crude product which was purified by silica gel chromatography (0-30% EtOAc/hexanes) andreverse phase chromatography (20-95% ACN/water with 0.1% TFA) to yield an inseparable mixture of tert-butyl 5 -(4-bromophenyl)-2,5-diazabicyclo[2.2. 21 octane-2-carboxylate ; A mixture of products from step 1 (tert-butyl 5-(4-bromophenyl)-2,5-diazabicyclo [2.2.2j octane2-carboxylate and tert-butyl 5-(4-iodophenyl)-2,5-diazabicyclo [2.2.2j octane-2-carboxylate) (283 mg), 3-chloro-4-dimethylcarbamoylphenylboronic acid (210 mg, 0.925 mmol), sodium carbonate (2M, 0.96 mL, 1.9 mmol) in ACN (3.8 mL) was degassed by bubbling N2 for 15 mm.Bis(triphenylphosphine)palladium(II) chloride (21.6 mg, 0.03 mmol) was added and the mixture was stirred at 70C overnight. The mixture was then extracted with EtOAc and 5% aq. KHSO4, the organic layer was dried over magnesium sulfate, and the solvents were removed in vacuo to give crude product which was purified by silica gel chromatography (0-100% EtOAc/hexanes) and reverse phase chromatography (25-95% ACN/water with 0.1% TFA) to yield tert-butyl 5-(3?-chloro-4?-(dimethylcarbamoyl)-[1 , 1 ?-biphenylj-4-yl)-2,5-diazabicyclo[2.2.21 octane-2- carboxylate (44 mg). LRMS m/z (M+H) 470.3 found, 470.2 required.
  • 2
  • [ 858671-91-7 ]
  • [ 850589-47-8 ]
  • [ 589-87-7 ]
  • tert-butyl 5-[3,3‘-dichloro-4’-(dimethylcarbamoyl)biphenyl-4-yl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate [ No CAS ]
 

Historical Records

Technical Information

Categories