Methyl 2-bromo-4-cyanobenzoate synthesis
- Product Name:Methyl 2-bromo-4-cyanobenzoate
- CAS Number:98592-04-2
- Molecular formula:C9H6BrNO2
- Molecular Weight:240.05
Yield: 1.1 g
Reaction Conditions:
in N,N-dimethyl-formamide at 20; for 3 h;
Steps:
1.22b.2; 2.47a.2 Step 2:
Step 2:
Preparation of methyl 2-bromo-4-cyanobenzoate
To a solution of methyl 2-bromo-4-carbamoylbenzoate (1.3 g, 5.06 mmol) in dry DMF (20 mL) was added (CNCl)3 (1.85 g, 10.12 mmol) at rt and then stirred at rt for 3 h.
The reaction mixture was quenched with water and extracted with EA (100 mL*2).
The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated under reduced pressure to give crude methyl 2-bromo-4-cyanobenzoate as a white solid (1.1 g).
It was used without further purification. 1H NMR (400 MHz, CDCl3): δ 8.36 (s, 1H), 8.01 (d, J=8.0 Hz, 1H), 7.91 (d, J=8.0 Hz, 1H), 3.90 (s, 3H) ppm.
References:
Anacor Pharmaceuticals, Inc.;Eli Lilly and Company;AKAMA, Tsutomu;Balko, Terry William;Defauw, Jean Marie;Plattner, Jacob J.;White, William Hunter;Winkle, Joseph Raymond;Zhang, Yong-Kang;Zhou, Yasheen US2013/131017, 2013, A1 Location in patent:Paragraph 0348; 0542
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