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CAS No. : | 1220696-32-1 | MDL No. : | MFCD18383775 |
Formula : | C14H18BNO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 275.11 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Warning | Class: | |
Precautionary Statements: | P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 | UN#: | |
Hazard Statements: | H302-H315-H319 | Packing Group: | |
GHS Pictogram: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl acetamide; water; at 100℃; for 1h;Microwave irradiation; | A mixture of 3-Methy.-5-(4,4,5>;5-tetramethyl-[1,3,2]dioxaboroSan-2-y.)-3H~benzooxazo.-2- one (330 mg, 1.2 mmol), 3-Bromo-pyridine-4-carba.dehyde (188 mg, 1 mmo.}, polymer bound Pd(PPfIg)4 (842 mg, 0.0? mmol), Na2CO3 (2 M in water, 1 ml, 2 mmot) in N, N- Dimethytacetamide (9 mL) and wafer (1 ml) was heated Io 100 0C by microwave for 1 h. The reaction mixture was cooled to room temperature. The suspension was diluted with CH2Ci2 {15 ml) and filtered through a pad of celite. The filtrate was concentrated in vacuo to reddish brown solid. This crude material was purified by flash column (0-10% CH3OH in CH2CI2, v/v) and afforded 152 mg of the desired product. ESi-MS mlz: 255.0[M+1]*, Retention time 1.03 min; 1HNMR (DIVISO, 400 342 MHz): delta 3.39 (s, 3H), 7.27 (dd. J " 8.2, 1.8 Hz, 1 H)1 7.50 Cd, J = 8.2 Hz, 1H), 7.57 (d, J - 1.8 Hz, 1H), 8.85 <;m, 2H)1 10.0 (s; 1 H), |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
14 step 2 The above compound was synthesized using the Suzuki coupling conditions described in example 11, ESI-SVlS mlz: 285.2 [M+ 1J+, Retention time 1.01 min; 1HNMR (DySO-dθ, 400.342 MHz) δ 1.53 (s, 6H)1 3.42 (s, 3H), 7.7.44 (d, J - 8 Hz, 1 H), 7.48 (d, J = 8 Hz, 1H)1 7,68 (s, 1 H), 8.10 (s, 1H), 8.69 (d, J = 2Hz, 1H)1 8,76 (d, J = 2 Hz1 1 H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
The above compound was synthesized using the Suzuki coupling conditions described in example 7. ESS-MS m/z: 271,2 [M+1f, Retention time 0.94 min; 1HNMR (DMSO-dbeta, 400.342 MHz) delta 1.43 (d, J " 6,5 Hz, 3H), 3.42 (s, 3H), 4.87 (q, J = 4.5 Hz, 1 H), 5.39 (d, J = 4.4 Hz, IH), 7,43-7.50 (m, 2H)1 7.87 (d, J " 1.6 Hz, W), 8.03 (t, J " 2 Hz, 1 H), 8.55 {d, J = 2 Hz, 1H), 8.79 (cj, J - 2 Hz, 1H). The e?anttomers were separated by cNrai HPLC (10% ethanoi in supercritical carbon dioxide, v/v, ChiralPak AD-H column): peak 1 (enaniiomer one retention time 11.61 min) and second peak (enantiomer 2, retention time 13.26 min). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
35% | A mixture of 3-iVtelhyi-5-{4,4,5,5-tetraroethyi-(1 ,3,2]dioxabora.an-2-yl)-3H-benzalphaoxazoi-2- one (138 mg, 0,5 mmoi), 3-Bromo5~f1uoro~pyridine~4~carbafdehyde (102 mg, 0,5 mmoi), Na2CO3 (2 M in water, 0.75 mL, 1.5 mmoi) and PdCI2(PPh3)2 (17 mg, 0.03 mmoi) in DMF(3 mL) was heated at 1000C for 4 hrs. After concentration, the residue was diluted with DCM and saturated NH4C. solution. After filtration and concentration, the residue was purified by flash column (MeOH-C H2CI2, v/v, 0 - 1.5percent) and afforded the title compound (47 mg, 35percent). 1H NMR (400.3 MHz, CDCi3): S 3.45 (s, 3H), 6,96 (d, J = 1.7 Hz, 1H), 7.08 (dd, J = 8, 1.7 Hz, 1 H), 7.32 (d, J - 8 Hz, 1H), 8.59 (s, 1H), 8.68 (d, J - 1.3 Hz, I H), 10.07 (s, 1H), |