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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 22693-41-0
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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'.
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. : | 22693-41-0 |
Formula : | C15H24S |
M.W : | 236.42 |
SMILES Code : | SC1=C(C(C)C)C=C(C(C)C)C=C1C(C)C |
MDL No. : | MFCD12026227 |
InChI Key : | QLPCAAJSEQIZOP-UHFFFAOYSA-N |
Pubchem ID : | 613579 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H302+H312+H332-H314-H227 |
Precautionary Statements: | P501-P261-P270-P210-P271-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405 |
Class: | 8 |
UN#: | 1760 |
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 |
---|---|---|
89% | With pyridine; dmap; In dichloromethane; at 0 - 20℃;Inert atmosphere; | General procedure: Pyridine (2.5 mL, 5% v/v) was added dropwise to a stirred solution of chloroacetyl chloride (1.80 mL, 22.6 mmol), benzenethiol (2.0 mL, 19.5 mmol) and a catalytic amount of DMAP in CH2Cl2 (50 mL) at 0 C. The mixture was stirred at 0 C for 15 min, then warmed to rt and allowed to stir overnight. The reaction was quenched by the addition of saturated aqueous NH4Cl (15 mL), diluted in EtOAC (200 mL), H2O added to just dissolve the formed precipitate (5 mL), organic phase washed with H2O (2 x 10 mL), brine, dried over MgSO4 and evaporated. Flash chromatography over silica gel, using 5:95 EtOAc-hexanes gave 13 (3.45 g; 95%) as a pure, white solid. Spectroscopic data was identical to that previously reported {1,2}. S-(2,4,6-triisopropyl)phenyl α-chlorothioacetate (15). Flash chromatography over silica gel, using 3:97 EtOAc-hexanes gave 15 (0.353 g; 89%) as a pure, pale yellow solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
73% | With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0℃; for 10h;Inert atmosphere; | General procedure: Under a N2 atmosphere, dicyclohexylcarbodiimide (1.2 mmol) in DCM (10 mL) was added dropwisely to a mixture of the specific thiol (1.0 mmol), 2-fluoroacetic acid (1.2 mmol), 4-dimethylaminopyridine (0.2 mmol) at 0 C. The reaction mixture was kept stirring for 10 h at 0 C and concentrated under a reduced pressure. The residue was purified by flash column chromatography on silica gel (petroleum ether/ethyl acetate = 30:1) to give the corresponding 2-fluorothioesters 2. Caution: the reaction should be carried out in a well-ventilated hood because of the highly toxic nature of 2-fluoroacetic acid derivatives. |