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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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Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Structure of 822-67-3
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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. : | 822-67-3 |
Formula : | C6H10O |
M.W : | 98.14 |
SMILES Code : | OC1C=CCCC1 |
MDL No. : | MFCD00001570 |
InChI Key : | PQANGXXSEABURG-UHFFFAOYSA-N |
Pubchem ID : | 13198 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H225 |
Precautionary Statements: | P210-P403+P235 |
Class: | 3 |
UN#: | 1987 |
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 hydrogenchloride; ammonium chloride; In tetrahydrofuran; diethyl ether; | 1-methylcyclohexane-1-carboxylic acid (10 g) in tetrahydrofuran was added dropwise to a stirred solution of lithium aluminium hydride (2.5 g) in tetrahydrofuran. After 1 h, saturated aqueous ammonium chloride then dilute hydrochloric acid were added, and the mixture was extracted with chloroform (x 3). The combined organic phase was dried (Na2SO4) and evaporated to yield the title alcohol as a colourless syrup (8 g), single component by g.c.-m.s. 4 Tetrahydrothiophene-2-methanol: the title alcohol was prepared from <strong>[19418-11-2]tetrahydrothiophene-2-carboxylic acid</strong> (J.T. Wrobel and E. Hejchman, Synthesis 1987, 452) by reduction with lithium aluminium hydride in ether (S. Ikegami, Tetrahedron 1974, 30 , 2087). 5 (RS)-2-Cyclohexene-1-methanol: cyclohexenone (10 g) was added dropwise to a solution of lithium aluminium hydride (2 g) in diethyl ether (50 ml) and the mixture was stirred at ambient temperature for 2 h. Saturated ammonium chloride solution (150 ml) was added, followed by hydrochloric acid (2 M) to dissolve the grey precipitate, and the mixture was extracted with chloroform (x 3), dried (MgSO4) and evaporated to a syrup. Fractional distillation under reduced pressure gave 2-cyclohexen-1-ol as a liquid, a single component by g.c.-m.s. The resulting 2-cyclohexen-1-ol (4 g) was converted to the title alcohol by the method of W. C. Still et al., (J. Am. Chem. Soc., 100 (1978) 1927-8, and after purification by flash crhomatography (silica; eluant ethyl acetate/light petroleum ether, 1:4) was obtained as a colourless liquid (2.5 g). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With methanesulfonic acid; In dichloromethane; at 20℃; for 4h; | A mixture of 5-(l,l-dimethylheptyl)-resorcinol (1,174.2 mg, 4.97 mmol), 2- cyclohexen-1-ol (690 mg, 7.03 mmol) and methanesulfonic acid (110 mg, 0.79 mmol) in 100 ml of dichloromethane (DCM) was stirred for 4 hrs at RT. The reaction progress was monitored by TLC. Upon completion of the reaction, the mixture was washed twice with a solution of saturated sodium bicarbonate and then once with brine. After phase separation and evaporation of the organic phase, the crude product was isolated and purified by column chromatography on silica gel with 20% EA in PE as the eluent. The purified 2-(2- cyclohexenyl)-5-(l , 1 -dimethylheptyl)-resorcinol was obtained at a yield of 81 %. |
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