Home Cart Sign in  
Chemical Structure| 518047-98-8 Chemical Structure| 518047-98-8

Structure of 518047-98-8

Chemical Structure| 518047-98-8

*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 [ 518047-98-8 ]

CAS No. :518047-98-8
Formula : C12H17N3O3
M.W : 251.28
SMILES Code : O=C(OCC1=CC=CC=C1)NC(C)(C)/C(N)=N/O
MDL No. :MFCD10698739

Safety of [ 518047-98-8 ]

Application In Synthesis of [ 518047-98-8 ]

* 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.

  • Upstream synthesis route of [ 518047-98-8 ]

[ 518047-98-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 518047-98-8 ]
  • [ 762-42-5 ]
  • [ 519032-08-7 ]
YieldReaction ConditionsOperation in experiment
58%
Stage #1: at 20℃; for 2 h;
Stage #2: With xylene In methanol at 90 - 120℃; for 16 h; Inert atmosphere
Benzyl 2-amino-2-(hydroxyimino)-1,1-dimethylethylcarbamate (2.0 g, 8.0 mmol) was dissolved in 30 mL MeOH, dimethyl acetylenedicarboxylate (DMAD, 1.1 mL, 9.0 mmol) was added slowly. The mixture was stirred for 2 h at room temperature, and then concentrated under reduced pressure to give a white oil. The mixture of the oil and 80 mL xylene was stirred at 90 °C for 2 h and 120 °C for 2 h, then refluxed for 12 h under nitrogen, concentrated to yield the crude product. The crude product was recrystallized with 2 mL MeOH and 10 mL tert-butyl methyl ether to afford 5 as a yellow solid (1.7 g, 58 percent): 1H-NMR (DMSO-d6) δ: 7.35 (m, 5H), 5.00 (s, 2H), 3.83 (s, 3H), 1.48 (s, 6H); ESI-MS m/z 360 (M), 384 (M+Na) +.
References: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 23, p. 7114 - 7118.
  • 2
  • [ 518047-98-8 ]
  • [ 519032-08-7 ]
References: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 9, p. 2225 - 2239.
 

Historical Records

Technical Information

Categories