2-BROMOMETHYL-5-METHOXY-BENZOIC ACID METHYL ESTER

Intermediate 12:Compound 11 (4.4 g, 24.2 mmol) was dissolved in carbon tetrachloride (80 ml_) and N-bromosuccinimide (4.48 g, 24.2 mmol) and benzoyl peroxide (276 mg, 1.13 mmol) were added. The reaction mixture was stirred at reflux for 3 hours and then solids were filtered and washed with ether. The combined organic layers were washed with water, dried over sodium sulfate, and concentrated to provide the desired product 12 (6.1 g, 98percent). Mass calculated for formula CPart B: Compound 2 (4.4 g, 24.2 mmol) was dissolved in carbon tetrachloride (80 ml_) and N-bromosuccinimide (4.48 g, 24.2 mmol) and benzoyl peroxide (276 mg, 1.13 mmol) were added. The reaction mixture was stirred at reflux for 3 hours and then solids were filtered and washed with ether. The combined organic layers were washed with water, dried over sodium sulfate, and concentrated to provide the desired product 3 (6.1 g, 98percent).A mixture of ( 5.68 g, 31.1 mmol), NBS(6.74 g, 37.9 mmol), AIBN (259 mg, 1.58 mmol) in carbon tetrachloride was refluxed for 2 hr. The reaction mixture was cooled at room temperature and the solid was filtrated under vacuum. The filtrate was concentrated in vacuo to obtain (75) (8.01 g, >98 percent ) as an oil without purification.Part B: Compound 301 (4.4 g, 24.2 mmol) was dissolved in carbon tetrachloride (80 mL) and N-bromosuccinimide (4.48 g, 24.2 mmol) and benzoyl peroxide (276 mg, 1.13 mmol) were added. The reaction mixture was stirred at reflux for 3 hours and then solids were filtered and washed with ether. The combined organic layers were washed with water, dried over sodium sulfate, and concentrated to provide the desired product 302 (6.1 g, 98percent).

Molecular Weight:259.10
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:257.98916
Monoisotopic Mass:257.98916
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes