Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 149525-65-5 | MDL No. : | MFCD01076344 |
Formula : | C15H27N3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DBOPPHIBSRVLLK-UHFFFAOYSA-N |
M.W : | 249.40 | Pubchem ID : | 1512484 |
Synonyms : |
|
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
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 |
---|---|---|
81% | In 1,2-dimethoxyethane at 20 - 50℃; Cooling with ice; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | With 2-(1H-9-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluroniumhexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; | 4.1.8. 1,3,5-Tris-((3S,4R,5S)-3,4,5-trihydroxycyclohex-1-en-1-ylcarbonylaminomethyl)-2,4,6-triethylbenzene (12) To a solution of trisamine 3 [7] (50 mg, 0.2 mmol) in DMF(20 mL), shikimic acid (122 mg, 0.7 mmol), HATU (266 mg,0.7 mmol) and DIPEA (105 mL, 0.6 mmol) were added. The mixturewas stirred at room temperature overnight and then evaporated todryness. The residue was dissolved in isobutanol (50 mL) andwashed with brine (3 20 mL). The organic phase was dried overanhydrous Na2SO4, filtered, and evaporated to dryness. The residuewas triturated with ether to yield 109 mg (76%) of 12 as a whitesolid; m.p. 242e244 C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran; for 96h; | General procedure: To a suspension of <strong>[3273-44-7]5-methyl-1H-pyrazole-3-carbaldehyde</strong> (18; 2-6 equiv) in anhydrous THF (10 mL) (in the case of the synthesis of 1) or MeOH (in the case of the synthesis of 2-5 and 11), the corresponding derivative bearing one to three amino groups (17,21 25-289d,11 or 36,4c see Scheme 1 and Scheme 2) (1 equiv), dissolved in anhydrous MeOH (5 mL), was added. The resulting mixture was heated at reflux until a clear solution resulted and then stirred at r.t. (up to 4 days, TLC analysis). The resulting imines were reduced without further purification by addition of NaBH4 (3-9 equiv) in portions. After complete addition of the reducing agent, the reaction mixture was stirred for 24 h at r.t. and then the solvent was removed under reduced pressure. The residue was suspended in CHCl3-H2O (1:1, 10 mL) and stirred for 12 h at r.t. The resulting suspension was extracted with CHCl3 (3 × 20 mL), dried over MgSO4, and the solvent was removed. The crude product was purified by column chromatography. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78% | General procedure: To a solution of <strong>[402-61-9]5-methyl-1H-pyrazole-3-carboxylic acid</strong> (19; 1.1-3.3 equiv) in DMF (5 mL) were added EDCI·HCl (1.1-3.3 equiv), HOBt·H2O (1.1-3.3 equiv) and DIPEA (1.1-3.3 equiv) at 0 C and the resulting mixture was stirred at this temperature for 30 min. The corresponding derivative bearing one to three amino groups (17, 25-28 or 36; 1 equiv), dissolved in DMF (1 mL), was added and the reaction mixture was stirred for 48 h at r.t. After this time, the reaction mixture was poured into ice-water (30 mL) and the formed precipitate was filtered off and washed thoroughly with small amounts of distilled H2O to free it from DMF. After drying in a dessicator, the desired products were obtained as white solids. 1,3,5-Tris[(5-methyl-1H-pyrazol-3-yl-carbonyl)aminomethyl]-2,4,6-triethylbenzene (6) Yield: 78% (0.11 g, 0.19 mmol); white solid; mp 178 C (dec.). 1H NMR (400 MHz, CD3OD): delta = 6.50 (s, 3 H), 4.65 (s, 6 H), 2.85 (q, J =7.5 Hz, 6 H), 2.29 (s, 9 H), 1.20 (t, J =7.5 Hz, 9 H). 13C NMR (100 MHz, CD3OD): delta = 164.63, 147.88, 145.72, 142.02,133.02, 105.52, 38.75, 24.05, 16.67, 10.48. HRMS (ESI): m/z [M + H]+ calcd for C30H40N9O3: 574.32486; found: 574.32506. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | In neat (no solvent, solid phase) at 20℃; for 0.166667h; Milling; |