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1-Chloroethyl chloroformate → HCID 10342385、化合物

HRID 1711869
ノート
印刷プレビュー

反応式

HRID 1711869 の反応式
COC1C=CC(C[N:8]2[CH2:14][C:13]3[CH:15]=[C:16](/[CH:19]=[CH:20]/[C:21]([N:23]([CH3:35])[CH2:24][C:25]4[N:26]([CH3:34])[C:27]5[C:32]([CH:33]=4)=[CH:31][CH:30]=[CH:29][CH:28]=5)=[O:22])[CH:17]=[N:18][C:12]=3[NH:11][C:10](=[O:36])[CH2:9]2)=CC=1.[Cl:39]C(OC(Cl)C)=O>ClC(Cl)C.CO.C(Cl)Cl>[ClH:39].[CH3:35][N:23]([CH2:24][C:25]1[N:26]([CH3:34])[C:27]2[C:32]([CH:33]=1)=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:21](=[O:22])/[CH:20]=[CH:19]/[C:16]1[CH:17]=[N:18][C:12]2[NH:11][C:10](=[O:36])[CH2:9][NH:8][CH2:14][C:13]=2[CH:15]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

6

反応物 2

HCID 5213051-Chloroethyl chloroformateHCID 10482563HCID 10482563、化合物

生成物 1

HCID 10342385HCID 10342385、化合物収率 49%

試薬・触媒・溶媒 3

HCID 887Methanol溶媒HCID 6344Dichloromethane溶媒HCID 63651,1-Dichloroethane溶媒

反応条件

温度
0 °C

実験手順

A solution of (E)-3-[4-(4-methoxy-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)acrylamide (2.00 g, 3.92 mmol), from Example 65, in dichloroethane (80 mL) was cooled in an ice bath and treated with 1-chloroethyl chloroformate (0.47 mL, 4.31 mmol). After stirring at 0° C. under N2 for 30 min and then at room temperature for 30 min, the mixture was heated to reflux for 1.5 h. The mixture was allowed to cool and then concentrated to dryness. Purification by flash column chromatography (silica gel, CH2Cl2/MeOH, 97:3) gave a tan solid. The solid was suspended in methanol and heated to reflux for 2 h. The mixture was allowed to cool and the solid was isolated by filtration, dissolved in CH2Cl2, washed with 1 N NaOH, dried over Na2SO4, filtered and the solvent was removed in vacuo. Purification by flash column chromatography (silica gel, CH2Cl2/MeOH, 97:3 to 95:5) gave the title compound (0.70 g, 49%) as an off-white solid: 1H NMR (300 MHz, CDCl3) δ 8.38-8.33 (m, 2H), 7.72-7.67 (m, 1H), 7.60-7.57 (m, 2H), 7.32-7.20 (m, 3H), 7.14-7.09 (m, 1H), 6.90-6.80 (m, 1H), 6.49-6.38 (m, 1H), 4.93-4.78 (m, 2H), 4.08 (s, 2H), 3.95 (s, 2H), 3.71 (s, 3H), 3.13-3.07 (m, 3H); MS (ESI) m/e 390 (M+H)+.

後処理

  1. waitat room temperature for 30 min
  2. temperaturethe mixture was heated
  3. temperatureto reflux for 1.5 h
  4. temperatureto cool
  5. concentrationconcentrated to dryness
  6. customPurification by flash column chromatography (silica gel, CH2Cl2/MeOH, 97:3)
  7. customgave a tan solid
  8. temperatureheated
  9. temperatureto reflux for 2 h
  10. temperatureto cool
  11. customthe solid was isolated by filtration
  12. washwashed with 1 N NaOH
  13. dry with materialdried over Na2SO4
  14. filtrationfiltered
  15. customthe solvent was removed in vacuo
  16. customPurification by flash column chromatography (silica gel, CH2Cl2/MeOH, 97:3 to 95:5)

出典と根拠

ORDレコード
ord-87eeb86141644fd2a34f5b67f2daad19
出典データセット
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07790709B2

反応ノート

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