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Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Structure of 1521-51-3
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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. : | 1521-51-3 |
Formula : | C6H9Br |
M.W : | 161.04 |
SMILES Code : | BrC1C=CCCC1 |
MDL No. : | MFCD00013775 |
InChI Key : | AJKDUJRRWLQXHM-UHFFFAOYSA-N |
Pubchem ID : | 137057 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H225-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Class: | 3 |
UN#: | 1993 |
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 |
---|---|---|
52% | A solution (0.2 M) of methyl LH-INDOLE-6-CARBOXYLATE in DMF was cooled to 0 C then treated with LiH (1.3 eq. ). The mixture was stirred for 0.5 h then warmed to 20 C. A solution (1.0 M) of 3-BROMOCYCLOHEX-L-ENE (1.5 eq. ) in DMF was added and the mixture was stirred for 16 h. AcOEt and H20 were added and the organic layer was separated then washed with aqueous HCl (1 N) and dried. Removal of the solvent gave a residue that was purified by flash chromatography on silica gel (5: 95 ACOET/PETROLEUM ether) to afford the title compound (52%) as an oil. 'H NMR (300 MHz, CDCl3, 300 K) õ 1.61-1. 85 (m, 4H), 2.05-1. 18 (m, 2H), 3.71- 3.75 (m, 1H), 3.94 (s, 3H), 5.80-5. 95 (m, 2H), 7.14 (s, 1H), 7.67 (d, J 8.4 Hz, 1H), 7. 80 (d, J 8. 4 Hz, 1H), 8.12 (s, 1H), 8. 20 (br s, 1H); MS (ES+) m/z 256 (M+I+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83% | To a solution of <strong>[3433-74-7]5,11-dihydrodibenzo[b,e][1,4]oxazepine</strong> (4.37 g, 22.1 mmol) in DMF (22 mL) at RT, was added NaH (0.975 g, 24.4 mmol, 60% dispersion in mineral oil). The mixture was stirred at RT for 20 min. 3-bromocyclohex-1-ene (7.12 g, 44.2 mmol) was added to the above solution at RT, and the reaction mixture was stirred for 3 h, neutralized with sat. aq. NH4CI, extracted with dichloromethane, concentrated in vacuo to give a residue which was purified by flash chromatography (SiO2, 0%-5% ethylacetate in hexanes) to afford 5-(cyclohex-2-en-1-yl)-<strong>[3433-74-7]5,11-dihydrodibenzo[b,e][1,4]oxazepine</strong> (5.08 g, 83%). 1H MR (600 MHz, CDCI3) delta 7.26-7.23 (1H, m), 7.17-7.14 (3H, m), 7.06-7.04 (1H, m), 6.97-6.94 (1H, m), 6.89-6.87 (1H, m), 6.77-6.74 (1H, m), 5.99-5.98 (1H, m), 5.71 (1H, d, J= 10.2 Hz), 4.58 (1H, d, J= 14.4 Hz), 4.35-4.32 (2H, m), 2.16-2.06 (2H, m), 1.97-1.86 (2H, m), 1.70- 1.65 (2H, m); 13C NMR (150 MHz, CDC13) delta 157.8, 147.5, 141.0, 131.9, 131.2, 129.7, 128.7, 128.1, 124.4, 123.7, 122.1, 120.1, 119.6, 118.2, 56.9, 48.6, 26.9, 25.2, 21.6; LCMS m/z 278.3577 ([M + H+], C19H20NO requires 278.3677). |