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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sulfanilamide → n-Phenylsulfanilamide

HRID 400
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인쇄 미리보기

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HRID 400 반응식
Brc1ccccc1.Nc1ccc(S(N)(=O)=O)cc1>CC(=O)N(C)C.CC(=O)O.CC(=O)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>NS(=O)(=O)c1ccc(Nc2ccccc2)cc1
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참가 물질

7

반응물 2

HCID 5333SulfanilamideHCID 7961Bromobenzene

생성물 1

HCID 23201920n-Phenylsulfanilamide수율 30%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)촉매
HCID 4144353
Palladium (II) acetate
촉매
HCID 31374Dimethylacetamide용매

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온도
130 °C

실험 절차

A mixture of 4-aminobenzenesulfonamide (100 mg, 0.58 mmol), bromobenzene (0.061 mL, 0.58 mmol),(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (26.9 mg, 0.05 mmol), diacetoxypalladium (5.21 mg, 0.02 mmol) and cesium carbonate (227 mg, 0.70 mmol) in degassed DMA (1.8 mL) was heated **_in the microwave_** for 20 min at 130 °C. LC MS FLA-04227-96-01 (pH extract 7-8) showed some product and a few bromobenzene left. Heating was continued for 15 min at 150°C. LC MS FLA-04227-96-02 (pH extract 7-8) showed reaction stalled. Reaction was stopped. Extraction with AE + ethanol / aq. sat NH4Cl (pH7), then back extraction with DCM.The organics were dried over MgSO4 and concentrated _in vacuo._ The crude product was adsorbed on silica gel 40-60µm and purified by flash chromatography on silica gel 15-40µm eluting with 2 % of ethanol in dichloromethane (NH3 0.5 %) to provide 4-(phenylamino)benzenesulfonamide (60.0 mg, 41.6 %) as a gum. 1H NMR, LC MS FLA-04227-96-03: OK **_Note: the product still contains 24% mol DMA_** **_Corrected yield: 30%_**

출처 및 근거

ORD 기록
ord-2f18202487aa4ad2b8bb581b02b238ef
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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