5-bromo-3-methyl-1,2,4-thiadiazole
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5-bromo-3-methyl-1,2,4-thiadiazole
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CAS No:
54681-68-4
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Formula:
C3H3BrN2S
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Chemical Name:
5-bromo-3-methyl-1,2,4-thiadiazole
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Synonyms:
5-BROMO-3-METHYL-1,2,4-THIADIAZOLE;SCHEMBL2730482;CTK8C1609;DTXSID90512945;KS-00000QM9;7937AB;ANW-66971;ZINC39340641;3-methyl-5-bromo-1,2,4-thiadiazole;AKOS014320085
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-bromo-3-methyl-1,2,4-thiadiazole Use and Manufacturing
To a solution of [1-(2-trimethylsilylethoxymethyl)pyrrolo[2, 3-b]pyridin-6-yl]boronic acid (3.92 g, 13.40 mmol, 1.6 eq), To a solution of [l-(2-trimethylsilylethoxymethyl)pyrrolo[2, 3-b]pyridin-6-yl]boronic acid (3.92 g, 13.40 mmol, 1.6 eq), 5-bromo-3-methyl-l, 2, 4-thiadiazole (1.5 g, 8.38 mmol, 1 eq) in dioxane (40 mL) was added K2CO3 (2.89 g, 20.95 mmol, 2.5 eq) and Pd(dppf)Cl2.CH2Cl2 (684.19 mg, 837.81 umol, 0.1 eq) at l5C, the reaction mixture was degassed and purged with N2 for 3 times and stirred at l00C for 2 h. The resulting solution was filtered and concentrated to give a residue. The residue was purified by silica gel column (PE/EtOAc= 100/1 to 25/1) to afford the title compound (1.1 g, 3.17 mmol, 37.89%yield) as a colorless oil.
Computed Properties
Molecular Weight:179.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Exact Mass:177.92003
Monoisotopic Mass:177.92003
Topological Polar Surface Area:54
Heavy Atom Count:7
Complexity:70
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-bromo-3-methyl-1,2,4-thiadiazole
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