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Hydrochloric Acid → 4-Amino-2,6-dichlorobenzene-1-thiol

HRID 1157265
ノート
印刷プレビュー

反応式

HRID 1157265 の反応式
[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([S:9]C(=O)N(C)C)=[C:4]([Cl:15])[CH:3]=1.[OH-].[K+].Cl>C(O)C.O>[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([SH:9])=[C:4]([Cl:15])[CH:3]=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 3

HCID 313Hydrochloric AcidHCID 14797Potassium HydroxideHCID 59834498Dimethyl-thiocarbamic acid S-(4-amino-2,6-dichloro-phenyl)ester

生成物 1

HCID 198673824-Amino-2,6-dichlorobenzene-1-thiol収率 69%

試薬・触媒・溶媒 2

HCID 702Ethanol溶媒HCID 962Water溶媒

反応条件

温度
95 °C

実験手順

A solution of dimethyl-thiocarbamic acid S-(4-amino-2,6-dichloro-phenyl)ester (81) (2.0 g, 7.5 mmol) in ethanol was treated with a 3N aqueous potassium hydroxide solution. The reaction was heated to 95° C. for 2 d. At this time, the reaction was cooled to 25° C. and was then acidified to pH=2 with a 3N aqueous hydrochloric acid solution. This solution was diluted with water (500 mL) and then was extracted with ethyl acetate (2×250 mL). The organics were dried with magnesium sulfate, filtered, and concentrated under vacuum to an orange solid. The solid was slurried in chloroform, collected by filtration and washed with chloroform. The filtrate was concentrated under vacuum and purified by flash chromatography (Merck Silica gel 60, 230-400 mesh, 85:15 petroleum ether/ethyl acetate) to afford 4-amino-2,6-dichloro-benzenethiol (82) (1.0 g, 69%) as a white solid; EI(+)-HRMS m/e calcd for C6H5Cl2NS (M+) 192.9520, found 192.9519. Exact Mass=192.9520; Molecular weight=194.08

後処理

  1. temperatureAt this time, the reaction was cooled to 25° C.
  2. extractionwas extracted with ethyl acetate (2×250 mL)
  3. dry with materialThe organics were dried with magnesium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated under vacuum to an orange solid
  6. filtrationcollected by filtration
  7. washwashed with chloroform
  8. concentrationThe filtrate was concentrated under vacuum
  9. custompurified by flash chromatography (Merck Silica gel 60, 230-400 mesh, 85:15 petroleum ether/ethyl acetate)

出典と根拠

ORDレコード
ord-562dc749f91a46c3a6e56576646860ac
出典データセット
uspto-grants-2010_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07807674B2

反応ノート

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