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Sodium borohydride → Methyl 2-chloro-6-(hydroxymethyl)nicotinate

HRID 1500684
ノート
印刷プレビュー

反応式

HRID 1500684 の反応式
[Cl-].[Ca+2].[Cl-].[BH4-].[Na+].C[O:7][C:8]([C:10]1[CH:15]=[CH:14][C:13]([C:16]([O:18][CH3:19])=[O:17])=[C:12]([Cl:20])[N:11]=1)=O>C(O)C.C1COCC1>[CH3:19][O:18][C:16](=[O:17])[C:13]1[CH:14]=[CH:15][C:10]([CH2:8][OH:7])=[N:11][C:12]=1[Cl:20]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 4311764Sodium borohydrideHCID 5284359Calcium ChlorideHCID 583245856-Chloro-pyridine-2,5-dicarboxylic acid dimethyl ester

生成物 1

HCID 59140116Methyl 2-chloro-6-(hydroxymethyl)nicotinate収率 69.2%

試薬・触媒・溶媒 2

HCID 702Ethanol溶媒HCID 8028
Tetrahydrofuran
溶媒

実験手順

A cold (0° C.) suspension of calcium chloride (19.54 g, 176 mmol) and sodium borohydride (4.18 g, 110 mmol) in anhydrous ethanol (176 mL) and anhydrous THF (88 mL) was stirred for 1 hour, after which 6-chloro-pyridine-2,5-dicarboxylic acid dimethyl ester (9.97 g, 44 mmol) was added. After stirring at 0° C. for a further 6 hours, the reaction was quenched by the addition of H2SO4 (35 mL, 5M). The reaction mixture was diluted with ethyl acetate and filtered through Celite®. The filtrate was washed with 1M NaOH, water and brine, the organic phase was isolated, dried (Na2SO4), filtered and concentrated in vacuo. The resultant residue was subjected to flash chromatography (Si-PPC, gradient 0% to 100%, ethyl acetate in hexane) to afford the title compound as a yellow oil (6.14 g, 69%). LCMS (method B): RT=2.34 min, [M+H]+=202.

後処理

  1. stirringAfter stirring at 0° C. for a further 6 hours
  2. customthe reaction was quenched by the addition of H2SO4 (35 mL, 5M)
  3. additionThe reaction mixture was diluted with ethyl acetate
  4. filtrationfiltered through Celite®
  5. washThe filtrate was washed with 1M NaOH, water and brine
  6. customthe organic phase was isolated
  7. dry with materialdried (Na2SO4)
  8. filtrationfiltered
  9. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-0eb7b71b68c348dda65326b611b4d8bb
出典データセット
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09206174B2

反応ノート

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