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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+ |
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Structure of 22838-46-6
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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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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. : | 22838-46-6 |
Formula : | C10H14ClNO2 |
M.W : | 215.68 |
SMILES Code : | O=C(OC)C[C@@H](N)C1=CC=CC=C1.[H]Cl |
MDL No. : | MFCD02259741 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H301 |
Precautionary Statements: | P280-P305+P351+P338 |
Class: | 6.1 |
UN#: | 2811 |
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 |
---|---|---|
With thionyl chloride; at 70℃; | The procedure for the synthesis of 3a is described as a representative one. Thionyl chloride (1.45mL, 20mmol) was dropwise added to a mixture of 3-amino-3-phenylpropanoic acid (1.65g, 10mmol) and dry methanol (15mL) in a 2-neck round bottom flask connected with a condenser. After being refluxed overnight at 70C, the mixture was cooled to ambient temperature, and methanol was removed by evaporation. The salt precipitate was washed with ethyl acetate and then dissolved in aqueous ammonium hydroxide (20mL). The resulting mixture was stirred at room temperature overnight and extracted with CH2Cl2. The organic layer was dried over Na2SO4 and evaporated under reduced pressure to obtain 3a as a white solid (1.195g, 7.28mmol, 73%): mp 99-101C (lit.20 mp 110.1C); the data of 1H and 13C NMR were in good agreement with the literature data.20 Compound 3b: mp 118-122C; 1H NMR (300MHz, CDCl3, ppm): delta 1.8 (2H, br s, NH2), 2.51-2.53 (2H, m, CH2CH), 4.36-4.40 (1H, m, CHNH2), 5.7 (1H, br s, CONH2), 6.7 (1H, br s, CONH2), 7.00-7.07 (2H, m, C6H4), 7.27-7.34 (2H, m, C6H4). 13C NMR (75MHz, CDCl3, ppm): delta 45.1, 52.2, 115.6(d), 127.5(d), 140.7(d), 160.4, 163.7, 173.5. 3c: mp 123-126C; the data of 1H and 13C NMR were in good agreement with the literature data.20 3d: mp 102-105C; the data of 1H and 13C NMR were in good agreement with the literature data.20 |