Home Cart Sign in  
Chemical Structure| 501-33-7 Chemical Structure| 501-33-7

Structure of 501-33-7

Chemical Structure| 501-33-7

*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 [ 501-33-7 ]

CAS No. :501-33-7
Formula : C7H13NO
M.W : 127.18
SMILES Code : O[C@@H]1C[C@H](N2)CC[C@H]2C1
MDL No. :MFCD01711247

Safety of [ 501-33-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P280-P305+P351+P338-P310

Application In Synthesis of [ 501-33-7 ]

* 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 [ 501-33-7 ]

[ 501-33-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 771-61-9 ]
  • [ 1003879-02-4 ]
  • [ 2494-79-3 ]
  • [ 501-33-7 ]
  • C22H20BrClFN3O3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
63% To a stirred solution of 2,3,4,5,6-pentafluorophenol (15.9 g, 86.6 mmol) in THF (50 mL) and Tris-HCl buffer (50 mM, pH=9, 50 mL) was added a solution of 4-chloro-3-(chlorosulfonyl)benzoic acid (22.0 g, 86.6 mmol) in THF (50 mL) slowly at rt. The pH value of the mixture was adjusted to 9 by addition of aq. NaOH (2.5 M) and stirred at rt overnight. After the pH of the solution was adjusted to 7 (aq HCl, 1M), the bulk of organic solvent was removed. The pH of the residue was adjusted to 1 (aq. HCl 1M). The desired product precipitated out and was collected by filtration (29.6 g, 85.2%). ESIMS m/z=401.05 [M-H]-. A mixture of step 1a (22.0 g, 54.7 mol), <strong>[1003879-02-4]2-bromo-1-(4-bromo-3-fluorophenyl)ethanone</strong> (16.1 g, 54.7 mmol) and NaHCO3 (9.2 g, 109.4 mmol) in MeCN (150 mL) and DMF (20 mL) was stirred overnight at rt. After being concentrated, the crude residue was diluted with EtOAc (500 mL), washed with brine (30 mL×3), dried (Na2SO4) and concentrated. The crude residue was chromatographed (silica, ethyl acetate/petroleum ether) to give the desired compound as a white solid (24.0 g, 71.2%). The mixture of step 1b (2.5 g, 4.1 mmol) and NH4OAc (4.7 g, 61.5 mmol) in xylene (100 mL) was heated at 140 C. for 5 h under N2 atmosphere. After being cooled to rt, the reaction was diluted with EtOAc (500 mL), washed with brine (50 mL×2), dried (Na2SO4) and concentrated. The crude residue was chromatographed (slica, ethyl acetate/petroleum ether) to give the desired compound as a white solid (1.4 g, 57.8%). ESIMS m/z=597.0, 599.0 [M+H]+. To a stirred mixture of step 1c (30.0 mg, 0.050 mmol) and exo-8-azabicyclo[3.2.1]octan-3-ol (31.9 mg, 0.251 mmol) in DMF (0.50 ml) was added DIPEA (0.088 ml, 0.502 mmol). The resulting reaction mixture was heated to 80 C. for 1 h. After being cooled to rt, the reaction was diluted with ethyl acetate (20 mL), washed with brine (10 mL×2), dried (Na2SO4) and concentrated. The crude residue was chromatographed (silica, eluent: 0→8%, MeOH in DCM) to give the title compound (17 mg, 63%). ESI-MS m/z=540.02, 542.02 [M+H]+.
 

Historical Records

Technical Information

Categories