Home Cart Sign in  
Chemical Structure| 1338066-81-1 Chemical Structure| 1338066-81-1

Structure of 1338066-81-1

Chemical Structure| 1338066-81-1

*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 [ 1338066-81-1 ]

CAS No. :1338066-81-1
Formula : C25H29NO4S
M.W : 439.57
SMILES Code : O=S(C1=CC=C(C)C=C1)(O)=O.C2(OC(C3=CC=CC=C3)C4=CC=CC=C4)CCNCC2

Safety of [ 1338066-81-1 ]

Application In Synthesis of [ 1338066-81-1 ]

* 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.

  • Upstream synthesis route of [ 1338066-81-1 ]
  • Downstream synthetic route of [ 1338066-81-1 ]

[ 1338066-81-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1338066-81-1 ]
  • [ 43076-61-5 ]
  • [ 90729-43-4 ]
YieldReaction ConditionsOperation in experiment
55.27% With potassium carbonate In 4-methyl-2-pentanone at 105 - 116℃; for 2.25 h; Inert atmosphere 2.2 Synthesis of I" from Benzyhydryloxypiperidine toluenesulfonate Benzhydryloxypiperidine toluenesulfonate (1 1.44 g, 0.025 mol), 4'-tert-butyl-4- chlorobutyrophenone (10.15 g, 170 mol percent), potassium carbonate (8.47 g, 245 mol percent) and methyl isobutyl ketone (18.3 g) were placed in a round bottom flask and a further 20 mL of methyl isobutyl ketone were added and the reaction mixture was placed under a nitrogen atmosphere. The mixture was heated to between 1 15-116°C and vigorous evolution of gas was noted. The reaction mixture was heated at reflux temperature (105-1 15 °C) for 2 h and 15 minutes and then cooled to 30 °C internal temperature. Water (50 mL) was added and the phases were separated. The organic phase was washed with water (3x 50 mL) and then concentrated under reduced pressure (45 °C, 8 mbar) to give the crude product. The crude material was suspended in ethanol (30 mL, 96percent denatured with toluene) and the mixture was heated to reflux (82°C). The resulting solution was stirred at reflux temperature for 15 minutes and then cooled to 30 °C (the solution was seeded with a small quantity of I") and stirred at 30 °C for 30 minutes. The resulting suspension was then cooled to 2-3 °C and stirred at this temperature for 1 h. The product was isolated by filtration and washed with ethanol (3 x 5 niL). The moist product was dried in a vacuum oven (45°C) to give pure I" (6.49 g, 55.27percent). HPLC purity (areapercent): 99.27percent RRT 0.62 0.38percent.
55.27% With potassium carbonate In 4-methyl-2-pentanone at 105 - 116℃; Inert atmosphere 2.2
Synthesis of I' from Benzyhydryloxypiperidine toluenesulfonate
Benzhydryloxypiperidine toluenesulfonate (11.44 g, 0.025 mol), 4'-tert-butyl-4-chlorobutyrophenone (10.15 g, 170 mol percent), potassium carbonate (8.47 g, 245 mol percent) and methyl isobutyl ketone (18.3 g) were placed in a round bottom flask and a further 20 mL of methyl isobutyl ketone were added and the reaction mixture was placed under a nitrogen atmosphere.
The mixture was heated to between 115-116°C and vigorous evolution of gas was noted.
The reaction mixture was heated at reflux temperature (105-115 °C) for 2 h and 15 minutes and then cooled to 30 °C internal temperature.
Water (50 mL) was added and the phases were separated.
The organic phase was washed with water (3x 50 mL) and then concentrated under reduced pressure (45 °C, 8 mbar) to give the crude product.
The crude material was suspended in ethanol (30 mL, 96percent denatured with toluene) and the mixture was heated to reflux (82°C).
The resulting solution was stirred at reflux temperature for 15 minutes and then cooled to 30 °C (the solution was seeded with a small quantity of I') and stirred at 30 °C for 30 minutes.
The resulting suspension was then cooled to 2-3°C and stirred at this temperature for 1 h.
The product was isolated by filtration and washed with ethanol (3 x 5 mL).
The moist product was dried in a vacuum oven (45°C) to give pure I' (6.49 g, 55.27percent). HPLC purity (areapercent): 99.27percent RRT 0.62 0.38percent.
References: [1] Patent: WO2011/121099, 2011, A2, . Location in patent: Page/Page column 39-40.
[2] Patent: EP2371817, 2011, A1, . Location in patent: Page/Page column 27.
 

Historical Records