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

HRID 623
ノート
印刷プレビュー

反応式

HRID 623 の反応式
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
参加物反応条件実験手順出典と根拠反応ノート

参加物

7

反応物 2

HCID 2331BenzamideHCID 169882,3-Dichloropyridine

生成物 1

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

試薬・触媒・溶媒 4

HCID 10796Cesium carbonate試薬HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)触媒
HCID 4144353
Palladium (II) acetate
触媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
110 °C

実験手順

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).

出典と根拠

ORDレコード
ord-bb9134ed03e248f6b9498f9cb351f5cb
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

反応ノート

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