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Methyl chloroformate → HCID 59441788、化合物

HRID 1014169
ノート
印刷プレビュー

反応式

HRID 1014169 の反応式
[CH3:1][C:2]([N:5]([C:9]1[CH:14]=[C:13]([F:15])[CH:12]=[C:11]([Cl:16])[CH:10]=1)[C:6](=[O:8])[O-:7])([CH3:4])[CH3:3].[Li][C:18]([CH3:21])([CH3:20])[CH3:19].CCCCC.[CH3:27][O:28][C:29](Cl)=[O:30].[Cl-].[NH4+]>O1CCCC1>[Cl:16][C:11]1[CH:12]=[C:13]([F:15])[C:14]([C:29]([O:28][CH3:27])=[O:30])=[C:9]([NH:5][C:6]([O:7][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:8])[CH:10]=1.[CH3:4][C:2]([N:5]([C:9]1[CH:10]=[C:11]([Cl:16])[CH:12]=[C:13]([F:15])[C:14]=1[C:29](=[O:30])[C:18]([CH3:21])([CH3:20])[CH3:19])[C:6](=[O:7])[O-:8])([CH3:1])[CH3:3]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 6586Methyl chloroformateHCID 8003PentaneHCID 25517Ammonium ChlorideHCID 86644178HCID 86644178、化合物HCID 178418306HCID 178418306、化合物

生成物 2

HCID 59441788HCID 59441788、化合物HCID 86644177HCID 86644177、化合物

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

To a solution of 1,1-dimethylethyl(3-chloro-5-fluorophenyl)carbamate (7.34 g, 30 mmol) in tetrahydrofuran (200 mL, Aldrich) at −78° C. was slowly added tBuLi as a 1.7M solution in pentane (46 mL, 78 mmol, 2.6 equiv.). The resulting bright yellow solution was maintained at −78° C. for 3 hours, at which time methylchloroformate (3.02 mL, 39 mmol, Fluka) was added dropwise. After 45 minutes aqueous ammonium chloride (100 mL) was added and the reaction was warmed to room temperature. The organic layer was washed with brine, taken to a residue under reduced pressure, and purified by chromatography on SiO2 (10 to 30% ethyl acetate/hexanes) to afford methyl 4-chloro-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-6-fluorobenzoate as a pale yellow oil (6.4, 70% yield) as a roughly 5:1 mixture with 1,1-dimethylethyl[5-chloro-2-(2,2-dimethylpropanoyl)-3-fluorophenyl]carbamate which was removed in the subsequent step. 1H NMR (400 MHz, CDCl3) δ ppm 1.52 (s, 9 H), 3.95 (s, 3 H), 6.76 (d, J=2.20 Hz, 1 H), 6.78 (d, J=4 Hz, 1H) 8.31-8.34 (m, 1 H).

後処理

  1. customat −78° C.
  2. additionwas added dropwise
  3. washThe organic layer was washed with brine
  4. custompurified by chromatography on SiO2 (10 to 30% ethyl acetate/hexanes)

出典と根拠

ORDレコード
ord-46e0121a60a74531999bf98e4a927520
出典データセット
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07981903B2

反応ノート

読み込み中…

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