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CAS No. : | 5454-83-1 | MDL No. : | MFCD00000265 |
Formula : | C6H11BrO2 | Boiling Point : | - |
Linear Structure Formula : | BrCH2CH2CH2CH2COOCH3 | InChI Key : | RAVVJKCSZXAIQP-UHFFFAOYSA-N |
M.W : | 195.05 | Pubchem ID : | 79557 |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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 |
---|---|---|
100% | Step 10a: Ethyl 4-(benzyloxy)-3-(5-methoxy-5-oxopentyloxy)benzoate (Compound 503-18) The title compound 503-18 (1.5 g, 100%) was prepared as a yellow oil from compound 502 (1.0 g, 3.7 mmol), methyl 5-bromopentanoate (1.0 g, 4.4 mmol) using a procedure similar to that described for compound 307-9 (Example 3): LCMS: 437 [M+23]+; 1H NMR (DMSO-d6): delta 7.54 (d, J=8.7 Hz, 1H), 7.44-7.33 (m, 6H), 7.14 (d, J=8.4 Hz, 1H), 5.18 (s, 2H), 4.25 (q, J=7.2 Hz, 2H), 4.01 (t, J=6.0 Hz, 2H), 3.56 (s, 3H), 2.33 (m, 2H), 1.80-1.61 (m, 4H), 1.28 (t, J=7.2 Hz, 3H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In water; N,N-dimethyl-formamide; | Example 1 Synthesis of 5-(2-tert-Butyl-4-chlorophenoxy)pentanoic Acid Methyl 5-bromovalerate (1.52 mL, 2.09 g, 10.7 mmol), 2-tert-butyl-4-chloro-phenol (2.4 g, 13 mmol) and potassium carbonate (1.4 g, 10.1 mmol) were suspended in dry DMF (10 mL) and stirred for 2 h at 120 C. To the resulting mixture water was added (80 mL) and extracted with ethyl acetate (3*20 mL). The organic layers were washed two times with 10% sodium hydroxide (2*20 mL), water (1*20 mL), dried over sodium sulfate and evaporated in vacuo. To afford 3.46 g (quant) crude la that was used in the next step without further purification. 1H NMR (400 MHz, CDCl3) delta ppm 7.21 (d, J=2.6 Hz, 1H), 7.10 (dd, J=8.6, 2.6 Hz, 1H), 6.75 (d, J=8.6 Hz, 1H), 3.97 (t, J=5.8 Hz, 2H), 2.46 (t, J=6.9 Hz, 2H), 1.84-1.94 (m, 4H), 1.36 (s, 9H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | <strong>[4877-80-9]2,3,6,7,10,11-hexahydroxytriphenylene</strong> 1 (HHTP) was prepared according to the reported procedure [34]. To give compounds 2, 3 and 4, th e mixture of HHTP (1 mmol) and K2CO3 (8 mmol) in 50.0 mL of dry acetone was refluxed for 1 h. Then, ethyl bromoacetate, methyl 5-bromovalerate or methyl (4-bromomethyl)benzoate (8 mmol) upon this solution were added and refluxed for 24 h. The reactionwas monitored by TLC. The resulting solutionwas allowed to warm up to room temperature. At the end of the reaction, the reaction mixture was filtered and the organic layer was removed under reduced pressure. The observed solid product was dissolved in CHCl3 and washed twice with 0.2 N HCl and water. The combined organic phase was dried over Na2SO4 filtered, andconcentrated under reduced pressure to afford the desired pure product (2, 3 and 4). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10.3 g | With triethylamine; In N,N-dimethyl-formamide; at 80 - 90℃; | a: Compound 1 (10.0 g), methyl 5-bromovalerate (8.5 g), triethylamine (2.7 g) were added to DMF (20 mL),Keep warm at 80-90C until the reaction of compound 1 is complete. After cooling down to 20-30C,The reaction solution was slowly poured into 200 mL of water and the precipitated white solid was collected by suction filtration under reduced pressure.After drying, 10.3 g of compound 3 was obtained. |