Home Cart Sign in  
Chemical Structure| 956907-14-5 Chemical Structure| 956907-14-5

Structure of 956907-14-5

Chemical Structure| 956907-14-5

*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 [ 956907-14-5 ]

CAS No. :956907-14-5
Formula : C14H9BrN6
M.W : 341.17
SMILES Code : BrC1=CN=C2C(N(N=N2)CC3=CC=C4N=CC=CC4=C3)=N1
MDL No. :MFCD20257772

Safety of [ 956907-14-5 ]

Application In Synthesis of [ 956907-14-5 ]

* 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 [ 956907-14-5 ]

[ 956907-14-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 59378-87-9 ]
  • [ 956907-14-5 ]
  • 1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidine-3-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With potassium carbonate; In butan-1-ol; at 120℃; for 1h;Microwave irradiation; Step 1 A mixture of 6-((6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)quinoline, (350 mg, 1.03 mmol), potassium carbonate (436 mg, 3.16 mmol), and 3-pyrrolidine carboxylic acid (236 mg, 2.05 mmol) in n-butanol (10.0 mL) was heated in the microwave at 120 C. for 60 minutes. The reaction mixture was cooled to room temperature, filtered, rinsed with ethyl acetate, and the filtrate was concentrated. The crude product was purified by flash chromatography using a Horizon purification system on a 25S column eluding with chloroform containing 0.1% acetic acid/methanol (0.5-7%) to afford 1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]<strong>[59378-87-9]pyrrolidine-3-carboxylic acid</strong> (152 mg, 39%). 1H NMR (400 MHz, DMSO-d6) delta ppm 2.72-2.81 (m, 1H) 2.81-2.91 (m, 1H) 3.77-3.87 (m, 1H) 4.12-4.31 (m, 2H) 4.32-4.44 (m, 2H) 6.51 (s, 2H) 8.12 (dd, J=8.34, 4.29 Hz, 1H) 8.35 (dd, J=8.84, 2.02 Hz, 1H) 8.53 (d, J=1.52 Hz, 1H) 8.59 (d, J=8.59 Hz, 1H) 8.83 (s, 1H) 8.95 (dd, J=8.34, 1.01 Hz, 1H) 9.48 (dd, J=4.17, 1.64 Hz, 1H) 12.97 (s, 1H)
  • 3
  • [ 956907-14-5 ]
  • [ 479353-60-1 ]
  • dimethyl(4-((1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)amino)phenyl)phosphine oxide [ No CAS ]
YieldReaction ConditionsOperation in experiment
15% 6-((6-Bromo- 1 H- [1,2,3 Itriazolo [4,5 -blpyrazine- 1-yl)methyl)-quinoline (2) (68 mg, 0.1993 mmol; CAS 956907-14-5), <strong>[479353-60-1](4-aminophenyl)dimethylphosphine oxide hydrochloride</strong> (31) (45 mg, 0.2192 mmol), Cs2CO3 (130 mg, 0.3986 mmol) and 5.5 mL of of 1,4-dioxane/H20 (10;1) were added to a 10 mL microwave reaction tube fitted with a magnetic stir bar and a septum. The reaction mixture was degassed by slowly bubbling N2 throughout the reaction mixture with stirring for 1 h.Pd2(dba)3 (18 mg, 0.0199 mmol) and Xantphos (23 mg, 0.0398 mmol) were added, the degassing continued for an additional 10 mm and then the reaction tube was placed on a CEM Discover microwave reactor at 120 C for 16 h. The reaction was cooled to room temperature and concentrated in vacuo. The residue was triturated with 3 times with 10 mL portions of a mixture of CH2CWMeOH (9:1). The combined triturations were concentratedin vacuo and the residue was purified by chromatography on silica gel eluting with a gradient of 0-15% MeOH in CH2C12 to furnish 13 mg (15%) of dimethyl(4-((1-(quinolin-6-ylmethyl)- 1H- [1,2,3 Itriazolo [4 ,5-blpyrazin-6-yl)amino)phenyl)phosphine oxide (30) as an off-white solid: MS (m/z) MH = 430; ‘H NMR (300 MHz, CD3OD): ö 8.85 (dd, J= 4.3, 1.6 Hz, 1H), 8.40 (broad d, J = 8.4 Hz, 1H), 8.31 (s, 1H), 8.09 (d, J = 1.6 Hz, 1H), 8.04 (d, J = 8.8 Hz,1H), 7.95-7.86 (m, 2H), 7.82, (dd, J= 8.8, 2.0 Hz, 1H), 7.70-7.60 (m, 2H), 7.57 (dd, J= 8.4,4.4 Hz, 1H), 6.07 (s, 2H), 1.78 (d, J= 13.4 Hz, 6H).
 

Historical Records