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[ CAS No. 1000409-69-7 ] {[proInfo.proName]}

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Chemical Structure| 1000409-69-7
Chemical Structure| 1000409-69-7
Structure of 1000409-69-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1000409-69-7 ]

CAS No. :1000409-69-7 MDL No. :MFCD28137934
Formula : C12H10BrNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 312.18 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 1000409-69-7 ]

* 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.

  • Downstream synthetic route of [ 1000409-69-7 ]

[ 1000409-69-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 100063-22-7 ]
  • [ 1000409-69-7 ]
YieldReaction ConditionsOperation in experiment
With phenyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane; EXAMPLE 8A methyl 3-amino-4-bromo-5-phenylthiophene-2-carboxylate To a mixture of <strong>[100063-22-7]methyl 3-amino-5-phenylthiophene-2-carboxylate</strong> (2.33 g, 10 mmol) and phenyltrimethylammonium tribromide (9.4 g, 25 mmol) in dichloromethane (25 mL) and methanol (25 mL) was added calcium carbonate (4.03 g, 40 mmol) and the mixture stirred overnight. The solid was filtered off and the filtrate concentrated. The residue was purified by flash chromatography on silica gel using 1:10 ethyl acetate/hexanes to give 2.75 g of the title compound. 1H NMR (DMSO-d6) δ 7.62-7.65 (m, 2H), 7.47-7.51 (m, 3H), 3.80 (s, 3H).
With phenyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane; EXAMPLE 8A methyl 3-amino-4-bromo-5-phenylthiophene-2-carboxylate To a mixture of <strong>[100063-22-7]methyl 3-amino-5-phenylthiophene-2-carboxylate</strong> (2.33 g, 10 mmol) and phenyltrimethylammonium tribromide (9.4 g, 25 mmol) in dichloromethane (25 mL) and methanol (25 mL) was added calcium carbonate (4.03 g, 40 mmol) and the mixture stirred overnight. The solid was filtered off and the filtrate concentrated. The residue was purified by flash chromatography on silica gel using 1:10 ethyl acetate/hexanes to give 2.75 g of the title compound. 1H NMR (DMSO-d6) δ 7.62-7.65 (m, 2H), 7.47-7.51 (m, 3H), 3.80 (s, 3H).
With bromine; acetic acid; at 60℃; for 0.75h; Step 8A: To a solution of methyl-3-amino-5-phenyl thiophene-2-carboxylate (1.0 g, 4.10 mmol) in HOAc (15.0 mL) was added Br2 (0.63 mL, 12.3 mmol). The reaction was heated to 60 C. and allowed to stir approximately 45 minutes, after which it was judged complete by LCMS. The excess Br2 was quenched with excess Na2S2O3, and the crude product was extracted (3*25 mL) into DCM. The combined organic layers were dried over MgSO4 and concentrated in vacuo, affording 1.6 g of crude methyl 3-amino-4-bromo-5-phenylthiophene-2-carboxylate as a light yellow solid >90% purity. 1H NMR (400 MHz, CHLOROFORM-D) δ ppm 3.87 (s, 3 H) 5.74 (br. s, 2 H) 7.41-7.49 (m, 3 H) 7.63-7.68 (m, 2 H); LCMS: m/e=282.1 [M+H]+
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