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Thionyl Chloride → HCID 178478890、化合物

HRID 1937172
ノート
印刷プレビュー

反応式

HRID 1937172 の反応式
[NH:1]1[CH:5]=[C:4]([C:6]([OH:8])=O)[N:3]=[CH:2]1.O=S(Cl)[Cl:11].[NH2:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[S:24][C:23]3[CH:25]=[CH:26][CH:27]=[CH:28][C:22]=3[C:21]=2[CH2:29][C:30]2[CH:35]=[CH:34][C:33]([O:36][CH2:37][CH2:38][N:39]3[CH2:43][CH2:42][CH2:41][CH2:40]3)=[CH:32][CH:31]=2)=[CH:16][CH:15]=1>ClC(Cl)C.CN(C=O)C.C([O-])(O)=O.[Na+]>[ClH:11].[ClH:11].[N:39]1([CH2:38][CH2:37][O:36][C:33]2[CH:34]=[CH:35][C:30]([CH2:29][C:21]3[C:22]4[CH:28]=[CH:27][CH:26]=[CH:25][C:23]=4[S:24][C:20]=3[C:17]3[CH:18]=[CH:19][C:14]([NH:13][C:6]([C:4]4[N:3]=[CH:2][NH:1][CH:5]=4)=[O:8])=[CH:15][CH:16]=3)=[CH:31][CH:32]=2)[CH2:40][CH2:41][CH2:42][CH2:43]1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 3

HCID 24386Thionyl ChlorideHCID 224627922-(4-Aminophenyl)-3-[4-(2-(1-pyrrolidinyl)ethoxy]benzyl]benzo[b]thiopheneHCID 178524800HCID 178524800、化合物

生成物 1

HCID 178478890HCID 178478890、化合物

試薬・触媒・溶媒 3

HCID 6228Dimethylformamide触媒HCID 6365
1,1-Dichloroethane
溶媒
2 回
HCID 516892Sodium Bicarbonate溶媒

実験手順

A slurry of 40 mg (0.35 mmol) of 4-imidazolecarboxylic acid in 5 mL of dichloroethane was treated with 1 drop DMF followed by 0.10 mL (1.37 mmol) of SOCl2. The mixture was heated to mild reflux for 2 h, concentrated in vacuo, and the residue reconstituted in 5 mL dichloroethane. A solution of 300 mg (0.70 mmol) of 2-(4-aminophenyl)-3-[4-[2-(1-pyrrolidinyl)ethoxy]benzyl]benzo[b]thiophene (Part D) in 5 mL of dichloroethane was added and the mixture heated to mild reflux for 16 h. The reaction was diluted with 10 mL of sat'd aq NaHCO3, the two layers were separated, and the aqueous layer extracted with CHCl3 (3×10 mL). The combined organic layers were dried (K2CO3), filtered and concentrated in vacuo. Radial chromatography (SiO2; 2% then 4% then 5% MeOH in CHCl3 sat'd with NH4OH) afforded 90 mg (0.17 mmol; 49%) of the free base of the title compound as a solid. The product was taken up in 2 mL of H2O and was treated with 1 mL of 1 N aq HCl. The solution was lyophilized to give the title compound.

後処理

  1. temperatureThe mixture was heated
  2. temperatureto mild reflux for 2 h
  3. concentrationconcentrated in vacuo
  4. temperaturethe mixture heated
  5. temperatureto mild reflux for 16 h
  6. customthe two layers were separated
  7. extractionthe aqueous layer extracted with CHCl3 (3×10 mL)
  8. dry with materialThe combined organic layers were dried (K2CO3)
  9. filtrationfiltered
  10. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-10ea9916ca8d4921b9ff490b7ddb1754
出典データセット
uspto-grants-2002_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06391901B1

反応ノート

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