96999-01-8, name is Methyl 1-bromocyclopropanecarboxylate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Computed Properties of C5H7BrO2
A mixture of 12j (2.40 g, 10 mmol), 3a-3b (15 mmol) andCs2CO3 (9.77 g, 30 mmol) in DMF (50 mL) was stirred at 90 C(for 3a) or 120 C (for 3b) in N2 atmosphere until the completion of reaction as indicated by TLC (typically within 12 h). Oncooling to room temperature, the reaction mixture was pouredinto ice-water (200 mL), and the mixture thus obtained wasextracted with CH2Cl2 (3 ¡Á 100 mL). The combined extractswere washed with 5% brine (5 ¡Á 100 mL), dried over anhydrous Na2SO4 and evaporated on a rotary evaporator to aord aresidue, which was purifed by column chromatography to yield21a-21b after trituration with EtOAc/n-hexane.6-Bromo-4-methylthioquinoline (21a). 1.07 g (42%). Whitesolid, m.p. 88-90 C. 1H NMR, delta 8.75 (d, J = 4.8 Hz, 1H),8.14 (d, J = 1.6 Hz, 1H), 7.94 (d, J = 8.8 Hz, 1H), 7.90 (dd,J = 2.0 Hz and 9.2 Hz, 1H), 7.40 (d, J = 4.8 Hz, 1H), 2.66(s, 3H). 13C NMR, delta 149.97, 146.97, 145.21, 132.71, 131.85,126.63, 124.88, 119.56, 116.27, 13.37. ESI-HR-MS, calcd. forC10H9BrNS ([M(79Br)+H]+) 253.9639, found 253.9641; calcd.for C10H9BrNS ([M(81Br)+H]+) 255.9619, found 255.9628.
The synthetic route of 96999-01-8 has been constantly updated, and we look forward to future research findings.
Reference:
Article; Zhang, Xiansheng; Wu, Jingwei; Liu, Yuqiang; Xie, Yafei; Liu, Changying; Wang, Jianwu; Zhao, Guilong; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 192; 7; (2017); p. 799 – 811;,
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