1361386-46-0| Methyl 3-(bromomethyl)-5-(tert-butyl)thiophene-2-carboxylate| Ambeed

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CAS No. :	1361386-46-0
Formula :	C₁₁H₁₅BrO₂S
M.W :	291.21
SMILES Code :	O=C(C1=C(CBr)C=C(C(C)(C)C)S1)OC
MDL No. :	MFCD26392809

Yield	Reaction Conditions	Operation in experiment
75%	With caesium carbonate; In acetonitrile; at 20℃; for 16h;	Methyl 3-([[(4-bromo-2-fluorophenyl)methyl]amino]methyl)-5-tert-butylthiophene-2-carboxylate In a 50-mL round bottom flask, methyl 3-(bromomethyl)-5-tert-butylthiophene-2-carboxylate (700 mg, 2.40 mmol, 1.00 equiv) was dissolved in acetonitrile (10 mL), to which were added <strong>[112734-22-2](4-bromo-2-fluorophenyl)methanamine</strong> (1.47 g, 7.21 mmol, 3.00 equiv) and Cs2CO3 (861.53 mg, 2.64 mmol, 1.10 equiv) at room temperature. The resulting mixture was then stirred for 16 h at room temperature. After the reaction was done, the reaction mixture was concentrated under reduced pressure and the residue was purified in a silica gel column eluting with ethyl acetate in petroleum ether (5percent to 50percent gradient) to afford methyl 3-([[(4-bromo-2-fluorophenyl)methyl]amino]methyl)-5-tert-butylthiophene-2-carboxylate (750 mg, 75percent) as yellow solid. MS: m/z=414.0 [M+H]+.
52%	With caesium carbonate; In acetonitrile; at 20℃;	In a 250 mL round-bottomed flask, 4-bromo-2-fluoro-benzylamine (5.34 g, 26.2 mmol), 3- bromomethyl-5-tert-butyl-thiophene-2-carboxylic acid methyl ester (2.54 g, 8.72 mmol) and cesium carbonate (3.73 g, 11.4 mmol) were combined with acetonitrile (50 mL) to give a white suspension. The reaction mixture was stirred over the weekend at room temperature. The reaction mixture was filtered, then the filtrate was concentrated on the rotary evaporator. The crude product was loaded directly onto a 120 gram silica gel column. Flash chromatography (5- 25percent EtOAc-hexanes) afforded 3-[(4-bromo-2-fluoro-benzylamino)-methyl]-5-tert-butyl- thiophene-2-carboxylic acid methyl ester (1.88 g, 52percent) as a slightly yellow oil. LC/MS: m/z calculated for C18H22BrFN ([M+H]+): 414 and 416 Found: 416.0

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P321
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
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H261	In contact with water releases flammable gas
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H371	May cause damage to organs
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H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 1361386-46-0

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CAS No.: 1361386-46-0

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