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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Aniline → Methyl 3-anilino-5-bromobenzoate

HRID 524
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인쇄 미리보기

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HRID 524 반응식
COC(=O)c1cc(Br)cc(I)c1.Nc1ccccc1>CC(=O)O.CC(=O)O.Cc1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>COC(=O)c1cc(Br)cc(Nc2ccccc2)c1
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참가 물질

7

반응물 2

HCID 6115AnilineHCID 21942573Methyl 3-bromo-5-iodobenzoate

생성물 1

HCID 57529296Methyl 3-anilino-5-bromobenzoate수율 40.51%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 634876Binap, (A+-)-촉매HCID 4144353
Palladium (II) acetate
촉매
HCID 1140Toluene용매

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온도
110 °C

실험 절차

diacetoxypalladium (0.314 g, 1.40 mmol) and 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (0.871 g, 1.40 mmol) were added to a degassed mixture of methyl 3-bromo-5-iodobenzoate (4.77 g, 13.99 mmol), aniline (2.55 ml, 13.99 mmol) and cesium carbonate (3.87 g, 11.89 mmol) in toluene (137 ml) under nitrogen. The resulting mixture was stirred at 110 °C for 18 hours. The resulting mixture was evaporated to dryness and the residue was diluted with EtOAc (150 mL), and washed with water (100 mL), the organic layer was dried over MgSO4, filtered and evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 0 to 15% EtOAc in heptane. Pure fractions were evaporated to dryness to afford methyl 3-bromo-5-(phenylamino)benzoate (1.735 g, 40.5 %) as a pale yellow solid.

출처 및 근거

ORD 기록
ord-6368febfb34940ba908b28066b8fb22a
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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