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Type | HazMat fee for 500 gram (Estimated) |
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Limited Quantity | USD 15-60 |
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Structure of 75-84-3
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
CAS No. : | 75-84-3 |
Formula : | C5H12O |
M.W : | 88.15 |
SMILES Code : | CC(C)(C)CO |
MDL No. : | MFCD00004682 |
InChI Key : | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
Pubchem ID : | 6404 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H228-H332-H335 |
Precautionary Statements: | P210-P240-P241-P261-P271-P280-P304+P340+P312-P370+P378-P403+P233-P405-P501 |
Class: | 4.1 |
UN#: | 1325 |
Packing Group: | Ⅲ |
* 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 |
---|---|---|
Example 12: Synthesis of Tetradecafluoro-di(propylamino)- phthalocyaninatocobalt(II), Dodecafluoro-tetrapyrrolidino-phthalocyaninatocobalt(II) and MONO- (5-ETHYL-1, 3-DIOXANE-5-METHYLOXY)-HEXAFLUORO-TETRANEOPENTOXY-PENTAPYRROLIDIYAO- phthalocyaninatocobalt (II) [00129] FI6COPC (40 mg) was dissolved in 1 ml of propylamine and stirred for 10 min. Then the amine was evaporated and an aliquot was taken for MALDI-MS. It shows substitution of 1-6 fluorines by propylamine. To the remaining solid 1 ml of pyrrolidine was added and the suspension was stirred at room temperature for 5 min. After that the pyrrolidine was evaporated and an aliquot was taken for MALDI-MS. It shows substitution of 3-4 fluorines by pyrrolidine but no more products with propylamine as the substituent. To the remaining solid 1 ml of diisopropylamine was added and the mixture was heated to 80C for 4 hrs. The amine was evaporated and an aliquot taken for MALDI-MS. It shows substitution of 3-5 fluorines by pyrrolidine. There is no evidence that diisopropylamine has reacted with the Pc. To the remaining solid (dark blue green) was added a mixture of 0.93 ml nBuLi and 328 mg neopentylalcohol. The mixture was stirred at 110C for 90 min. Since the suspension almost solidified, some 5-ethyl-1, 3-dioxane-5-methanol was added and heated to 140C for 1 h. The colour turned from green to brown. But after cooling down it was green again. So another 328 mg neopentylalcohol were added and heated to 140C for 90 min. The colour turned brown again. The mixture was purified by silica gel chromatography with ethylacetate/hexanes (1: 1) as the eluent. An olive green and a green fraction were taken and submitted for MALDI-MS. Two peaks among several could be identified: [00130] 1) fluorines were replaced by 5 pyrrolidines and 4 neopentylalcohols [00131] 2) the same as above with an 5-ethyl-1, 3-dioxane-5-methanoxy. [00132] The reaction schemes for the synthesis of the various products of this example are provided in Figure 7. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | With pyridine; In dichloromethane; at 20℃; for 22h; | To a slurry of 2,3-dioxomdoline-5-sulfonyl chloride (Lee, D. et al. J. Med. Chem. 2001, 44, 2015) (7,07 g, 28.8 mmol) m CH2Cl2 (288 mL) at rt was added neopentyl alcohol (7.61 g, 86.3 mmol) then pyridine (11.6 mL, 143 mmol). The reaction was stirred at rt for 22 hours, becoming a clear, oiange solution. The reaction was diluted with ILO (300 mL) and extracted with EtOAc (2 chi 600 mL). The combined organic extracts were washed with 0.1 M aqueous HCl (3 * 300 mL), saturated aqueous NaHCO3 (300 mL), and saturated aqueous NaCl (300 mL), then dried over Na2SO4, filtered, and concentrated in vacuo to provide the title compound as a yellow solid (6.40 g, 92%). 1H NMR (400 MHz, CDClj): consistent; MS (ES ) m'z 315.1 (,VHH2O) |