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tert-Butyl carbamate → 2-Amino-4-fluoropyridine

HRID 160
ノート
印刷プレビュー

反応式

HRID 160 の反応式
CC(C)(C)OC(N)=O.Fc1ccnc(Cl)c1>C1COCCO1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>Nc1cc(F)ccn1
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 77922tert-Butyl carbamateHCID 27827922-Chloro-4-fluoropyridine

生成物 1

HCID 183278082-Amino-4-fluoropyridine収率 25.34%

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 9811564
Bis(dibenzylideneacetone)palladium
触媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
90 °C

実験手順

2-chloro-4-fluoropyridine (1.5 g, 11.40 mmol), tert-butyl carbamate (1.403 g, 11.97 mmol), CESIUM CARBONATE (7.43 g, 22.81 mmol) ,TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (0.418 g, 0.46 mmol) and 9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE (0.528 g, 0.91 mmol) were suspended in 1,4-dioxane (28 ml) ,degased with argon and heated to 90 °C for 4 hours. After cooling the reaction was quenched with water and extracted with ethyl acetate ( x 2 ). The combined organic phases were washed with water , a saturated aqueous solution of brine , dried over magnesium sulfate , concentrated then purified by preparative HPLC using a Waters X-Bridge reverse-phase column (C-18, 5 microns silica, 19 mm diameter, 100 mm length, flow rate of 40 ml / minute) and decreasingly polar mixtures of water (containing 0.2% ammonium carbonate) and acetonitrile as eluent. The product was diluted in DCM (5 mL) and was added TFA (1.00 mL). After 15 minutes, the volatiles were evaporated. The residue was treated with aq NH3 30% and reevaporated.

出典と根拠

ORDレコード
ord-81dfebc5c5a442faa29242be372b9cb1
出典データセット
750 AstraZeneca ELN dataset
元リンク
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反応ノート

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