Alternatived Products of [ 687639-03-8 ]
Product Details of [ 687639-03-8 ]
CAS No. : | 687639-03-8 |
MDL No. : | MFCD24386973 |
Formula : |
C8H12BrNO2
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Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
234.09
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Pubchem ID : | - |
Synonyms : |
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Safety of [ 687639-03-8 ]
Signal Word: | |
Class: | |
Precautionary Statements: | |
UN#: | |
Hazard Statements: | |
Packing Group: | |
Application In Synthesis of [ 687639-03-8 ]
* 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.
- Upstream synthesis route of [ 687639-03-8 ]
- Downstream synthetic route of [ 687639-03-8 ]
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[ 27514-08-5 ]
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[ 687639-03-8 ]
Yield | Reaction Conditions | Operation in experiment |
100% |
With bromine; In chloroform; at 22℃; for 0.333333h; |
A stirred solution of <strong>[27514-08-5]N-(4-oxocyclohexyl)acetamide</strong> x37 (1.5 g, 9.7 mmol, 1 eq) in chloroform (15 ml) is treated with a 0.5 M solution of bromine in chloroform (20 ml, 9.7 mmol, 1 eq) at 22 0C. The reaction mixture is stirred for 20 minutes and concentrated in vacuo to afford 3.15 g of crude N-(3-bromo-4-oxocyclohexyl)acetamide x38 which is used directly in the next step. Yield: 100 %.LC-MS (MH+): 234/236. |
|
With bromine; In water; at 45℃; |
Bromine (112g) was added dropwise to a solution of <strong>[27514-08-5]4-acetamidocyclohexanone</strong> (100g) in 500ML water at room temperature. The mixture was warmed to approximately 45C and maintained at this temperature until the bromine colour had been lost. To this, thiourea (125g) was added, and the mixture was heated to approximately 80C. To this, aqueous HYDROBROMIC ACID (100ML) was added, and the contents of the reaction vessel were refluxed. The contents were then cooled to approximately 10C, and neutralized with caustic LYE SOLUTION. THE PRODUCT, 2,6-DIAMINO-4, 5, 6, 7-TETRAHYDRO-BENZTHIAZOLE, WAS ISOLATED BY filrration, and washed wilh chilled water and dried. The product was off-white in colour, and the yield was approximately 60g in weight. |
Reference:
[1]Patent: WO2008/12010,2008,A1 .Location in patent: Page/Page column 80
[2]European Journal of Medicinal Chemistry,2004,vol. 39,p. 257 - 265
[3]Patent: WO2004/41797,2004,A1 .Location in patent: Page 2; 5-6
[4]Investigational New Drugs,2010,vol. 28,p. 454 - 465
[5]Journal of Medicinal Chemistry,2015,vol. 58,p. 5501 - 5521
- 2
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[ 687639-03-8 ]
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[ 106092-09-5 ]
- 3
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[ 687639-03-8 ]
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[ 106092-11-9 ]