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Benzamide → N-(3-chloro-2-pyridinyl)benzamide

HRID 623
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HRID 623 반응식
Clc1cccnc1Cl.NC(=O)c1ccccc1>C1COCCO1.CC(=O)O.CC(=O)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>O=C(Nc1ncccc1Cl)c1ccccc1
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참가 물질

7

반응물 2

HCID 2331BenzamideHCID 169882,3-Dichloropyridine

생성물 1

HCID 35209170N-(3-chloro-2-pyridinyl)benzamide수율 10.78%

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 312751,4-Dioxane용매

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온도
110 °C

실험 절차

In a 5 mL vial were added Pd(OAc)2 (6.85 mg, 0.03 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane) (35.3 mg, 0.06 mmol), N-(3-chloropyridin-2-yl)benzamide (15.30 mg, 10.78 %) and cesium carbonate (477 mg, 1.46 mmol) in dioxane (2 mL) to give a yellow solution. The flask was evacuated and filled with Nitrogen three times. Then, 2,3-dichloropyridine (99 mg, 0.67 mmol) was added. The reaction mixture was stirred overnight at 80°C. The reaction mixture was diluted with EtOAc (3 mL) and filtered. The solid was washed with EtOAc and the collected organic layers were evaporated to dryness, to give the crude product. The compound was purified by preparative HPLC on a Kromasil C8 column (10 µm 250x20 ID mm) using a gradient of 10-50% acetonitrile in H2O/ACN/FA 95/5/0.2 buffer, over 20 minutes with a flow of 19 mL/min. The compounds were detected by UV at 230nm. (15,3 mg pure product). The reaction was repeated at 80C, RT and 110C on microwave, overnight and a weekend: the yield remains very low for all conditions except for the reaction at RT (no product at all).

출처 및 근거

ORD 기록
ord-bb9134ed03e248f6b9498f9cb351f5cb
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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