Home Cart Sign in  
Chemical Structure| 66491-04-1 Chemical Structure| 66491-04-1

Structure of 66491-04-1

Chemical Structure| 66491-04-1

*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 [ 66491-04-1 ]

CAS No. :66491-04-1
Formula : C9H8INO
M.W : 273.07
SMILES Code : O=C1NCCC2=C1C=C(I)C=C2
MDL No. :MFCD20923418

Safety of [ 66491-04-1 ]

Application In Synthesis of [ 66491-04-1 ]

* 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.

  • Downstream synthetic route of [ 66491-04-1 ]

[ 66491-04-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 66491-03-0 ]
  • [ 66491-04-1 ]
  • [ 1196-38-9 ]
  • 2
  • [ 66491-03-0 ]
  • [ 66491-04-1 ]
YieldReaction ConditionsOperation in experiment
NaN02 (340mg, 4.9382mmol) was added to a solution of 7-amino-3,4- dihydro-2H-isoquinolin-l-one (I- 32a: 800mg, 4.9382mmol) in concentrated HC1 (2mL) and water (2mL) at 0C. The reaction mixture was stirred at 0C for 15 minutes. The resulting diazonium salt solution was added portion wise to a vigorously stirred biphasic mixture of DCM (25mL), potassium iodide (4.9g, 29.6242mmol), copper iodide (47mg, 0.25mmol) and water (8mL). The resulting mixture was stirred at room temperature overnight. The reaction was monitored by TLC (80%ethylacetate in hexane). The reaction mixture was diluted with DCM. The organic layer was washed with 10% Na2S2SC>3 solution, dried over Na2S04 and concentrated. Purification by column chromatography on silica gel (50% ethylacetate in hexane) afforded 640mg of the product (44.50% yield).1H NMR (300 MHz, CDC13): delta 8.53-8.31 (m, 1H), 7.80-7.70 (m, 1H), 7.0 (d, 1H), 6.40-6.25 (bs, 1H), 3.70-3.51 (m, 2H), 3.0 (t, 2H)LCMS: 100%, mix = 274.0 (M+l)
  • 3
  • [ 7681-65-4 ]
  • [ 66491-03-0 ]
  • [ 66491-04-1 ]
YieldReaction ConditionsOperation in experiment
640 mg Preparation of Intermediate 7-Iodo-3,4-dihydro-2H-isoquinolin-1-one (I-32b) NaNO2 (340 mg, 4.9382 mmol) was added to a solution of <strong>[66491-03-0]7-amino-3,4-dihydro-2H-isoquinolin-1-one</strong> (I-32a: 800 mg, 4.9382 mmol) in concentrated HCl (2 mL) and water (2 mL) at 0 C. The reaction mixture was stirred at 0 C. for 15 minutes. The resulting diazonium salt solution was added portion wise to a vigorously stirred biphasic mixture of DCM (25 mL), potassium iodide (4.9 g, 29.6242 mmol), copper iodide (47 mg, 0.25 mmol) and water (8 mL). The resulting mixture was stirred at room temperature overnight. The reaction was monitored by TLC (80% ethylacetate in hexane). The reaction mixture was diluted with DCM. The organic layer was washed with 10% Na2S2SO3 solution, dried over Na2SO4 and concentrated. Purification by column chromatography on silica gel (50% ethylacetate in hexane) afforded 640 mg of the product (44.50% yield). 1H NMR (300 MHz, CDCl3): delta 8.53-8.31 (m, 1H), 7.80-7.70 (m, 1H), 7.0 (d, 1H), 6.40-6.25 (bs, 1H), 3.70-3.51 (m, 2H), 3.0 (t, 2H) LCMS: 100%, m/z=274.0 (M+1)
 

Historical Records

Technical Information

Categories