1-Bromo-4-chloro-2-methoxybenzene
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1-Bromo-4-chloro-2-methoxybenzene
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CAS No:
174913-09-8
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Formula:
C7H6BrClO
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Chemical Name:
1-Bromo-4-chloro-2-methoxybenzene
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Synonyms:
Benzene,1-bromo-4-chloro-2-methoxy-;1-Bromo-4-chloro-2-methoxybenzene;2-Bromo-5-chloroanisole
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CAS No:
Characteristics
9.2
3.4
1.564±0.06 g/cm3(Predicted)
236.6±20.0 °C(Predicted)
96.9±21.8 °C
1.5875
0.0719mmHg at 25°C
1-Bromo-4-chloro-2-methoxybenzene Use and Manufacturing
Preparation Example 27 Synthesis of 1-bromo-4-chloro-3-(4-ethoxybenzyl)-6-methoxybenzene; A suspension of 2-bromo-5-chlorophenol (2.85 g, 13.7 mmol; synthesized in reference to International Patent Publication WO0109122), potassium carbonate (1.89 g, 13.7 mmol), n-BUGeneral procedure: To a solution of tert-butyl (3R, 4S)-4-[4-(2-aminopyrimidin-4-yl)-2-cyanophenoxy]-3- fluoropiperidine-l-carboxylate (504 mg, 1.22 mmol) in 1, 4-dioxane (30 mL) were added l-(6- bromo-2-methoxypyridin-3-yl)-4-(oxetan-3-yl)piperazine (866 mg, 2.64 mmol), Pd2(dba)3CHCl3 (133 mg, 0.13 mmol), Xantphos (149 mg, 0.26 mmol) and Cs2C03 (851 mg, 2.61 mmol) at room temperature. The resulting mixture was stirred for 3 h at 90 C. When the reaction was done, the reaction mixture was concentrated under reduced pressure and the residue was purified by flash chromatography eluting with EtOAc in hexane (0 % to 100 % gradient) to yield tert-butyl (3R, 4S)-4-[2-cyano-4-[2-([6-methoxy-5-[4-(oxetan-3-yl)piperazin-l-yl]pyridin-2- yl]amino)pyrimidin-4-yl]phenoxy]-3-fluoropiperidine-l-carboxylate as an yellow solid (173 mg, 21 %). MS: m/z = 661.3 [M+H]+.Step A: Compound 12 (150.00mg, 318.20umol, 1.00eq), 2-meTHF (5.00mL),
Computed Properties
Molecular Weight:221.48
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:219.92906
Monoisotopic Mass:219.92906
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Bromo-4-chloro-2-methoxybenzene
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