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Bromine → Methyl 4-(2-amino-2-oxoethoxy)-5-bromo-2-methoxybenzoate

HRID 1025165
Notes
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Reaction equation

HRID 1025165 reaction equation
[NH2:1][C:2](=[O:17])[CH2:3][O:4][C:5]1[CH:14]=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[C:7]([O:15][CH3:16])[CH:6]=1.[Br:18]Br>C(Cl)(Cl)Cl>[NH2:1][C:2](=[O:17])[CH2:3][O:4][C:5]1[C:14]([Br:18])=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[C:7]([O:15][CH3:16])[CH:6]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 24408BromineHCID 67211435Methyl 4-(2-amino-2-oxoethoxy)-2-methoxybenzoate

Product 1

HCID 67210885Methyl 4-(2-amino-2-oxoethoxy)-5-bromo-2-methoxybenzoateYield 104%

Reagents, catalysts & solvents 1

HCID 6212ChloroformSolvent2×

Conditions

Temperature
0 °C

Procedure

To a 250 mL round-bottomed flask was added methyl 4-(2-amino-2-oxoethoxy)-2-methoxybenzoate (1.2 g, 5.14 mmol) and chloroform (40 mL). The mixture was placed under a nitrogen atmosphere and cooled to 0° C. Bromine (0.263 mL, 5.14 mmol) was added drop wise (in 3 mL of chloroform) and the solution was allowed to warm to room temperature overnight. The orange solid was cooled with an ice bath, filtered, washed sequentially with cold chloroform, then diethyl ether. The product was dried under vacuum giving 1.7 grams (91% yield) of methyl 4-(2-amino-2-oxoethoxy)-5-bromo-2-methoxybenzoate as an orange solid. The LC/MS data was obtained on a Shimadzu analytical LC/Micromass Platform LC (ESI+) at 220 nm using the following set of conditions: Waters Sunfire 5 μm C18, 4.6×30 mm column, with a gradient of 0-100% B (B=90% HPLC grade methanol/0.1% trifluoroacetic acid/10% HPLC grade water), (A=90% HPLC grade water/0.1% trifluoroacetic acid/10% HPLC grade methanol), in 2 minutes with a 1 minute hold at a rate of 4 mL/minute. 1H NMR (400 MHz, THF-d8) δ ppm 3.76 (s, 3 H), 3.88 (s, 3 H), 4.63 (s, 2 H), 6.76 (s, 1 H), 7.10 (br. s., 2 H), 7.96 (s, 2 H). LCMS Rt=1.793 min., m/z 319.1 (M+H), 90% purity.

Workup

  1. temperatureto warm to room temperature overnight
  2. temperatureThe orange solid was cooled with an ice bath
  3. filtrationfiltered
  4. washwashed sequentially with cold chloroform
  5. customThe product was dried under vacuum

Sources & evidence

ORD record
ord-8c703d165b3648d3a430462be5eb885d
Source dataset
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08722688B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes