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Benzoic Acid → 5-(4-carboxybenzylidene)-3-[(1-{3,4-dimethylphenyl}-4-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one

HRID 2085360
ノート
印刷プレビュー

反応式

HRID 2085360 の反応式
[NH2:1][N:2]1[C:6](=[O:7])[CH2:5][S:4][C:3]1=[S:8].[CH3:9][C:10]1[CH:11]=[C:12]([N:17]2[C:21](O)=[C:20]([CH:23]=O)[C:19]([CH3:25])=[N:18]2)[CH:13]=[CH:14][C:15]=1[CH3:16].N1CCCCC1.[CH:32]([C:34]1[CH:42]=[CH:41][C:37]([C:38]([OH:40])=[O:39])=[CH:36][CH:35]=1)=O.C(O)(=[O:50])C1C=CC=CC=1>C1(C)C=CC=CC=1.C(O)C>[C:38]([C:37]1[CH:41]=[CH:42][C:34]([CH:32]=[C:5]2[S:4][C:3](=[S:8])[N:2]([N:1]=[CH:23][C:20]3([OH:50])[CH2:21][N:17]([C:12]4[CH:13]=[CH:14][C:15]([CH3:16])=[C:10]([CH3:9])[CH:11]=4)[N:18]=[C:19]3[CH3:25])[C:6]2=[O:7])=[CH:35][CH:36]=1)([OH:40])=[O:39]
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 243Benzoic AcidHCID 8082PiperidineHCID 120884-Formylbenzoic acidHCID 740333-AminorhodanineHCID 178426271HCID 178426271、化合物

生成物 1

HCID 867594175-(4-carboxybenzylidene)-3-[(1-{3,4-dimethylphenyl}-4-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one
収率 165.4%

試薬・触媒・溶媒 2

HCID 702Ethanol溶媒HCID 1140Toluene溶媒

実験手順

A mixture of 3-aminorhodanine (148 mg, 1.00 mmol), 1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehyde (230 mg, 1.00 mmol) and ethanol (10 mL) was stirred 96 h. The solid was filtered, washed with ethanol and ether and dried. A mixture of the resulting crude imine (80 mg, 0.222 mmol), piperidine (2 mg, 0.022 mmol), 4-formylbenzoic acid (33 mg, 0.222 mmol), benzoic acid (3 mg, 0.022 mmol) and toluene (10 mL) was heated under reflux for 6 h in an apparatus fitted with a Dean and Stark separator to remove water. After cooling, the solid was filtered off, washed with toluene and ether, and purified by reverse phase HPLC (CombiPrep ODS-A, 10-90% acetonitrile/water+0.1% trifluoroacetic acid) to give the title compound (18 mg, 16%) as a solid. LCMS, m/e 493 [M+H]+.

後処理

  1. filtrationThe solid was filtered
  2. washwashed with ethanol and ether
  3. customdried
  4. temperaturewas heated
  5. temperatureunder reflux for 6 h in an apparatus
  6. customfitted with a Dean and Stark separator
  7. customto remove water
  8. temperatureAfter cooling
  9. filtrationthe solid was filtered off
  10. washwashed with toluene and ether
  11. custompurified by reverse phase HPLC (CombiPrep ODS-A, 10-90% acetonitrile/water+0.1% trifluoroacetic acid)

出典と根拠

ORDレコード
ord-0eb958c6308d4de1802bc800fc4a2af2
出典データセット
uspto-grants-2004_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06720345B1

反応ノート

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