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Hydrochloric Acid → 3-Pentyl-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one

HRID 1664510
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HRID 1664510 반응식
C(N[C:10]([N:12]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[C:13]1[N:14]=[CH:15][NH:16][C:17]=1[C:18]([NH2:20])=[O:19])=[S:11])(=O)C1C=CC=CC=1.[OH-].[Na+].Cl>O>[CH2:21]([N:12]1[C:13]2[N:14]=[CH:15][NH:16][C:17]=2[C:18](=[O:19])[NH:20][C:10]1=[S:11])[CH2:22][CH2:23][CH2:24][CH3:25]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 576001664-[[(Benzoylamino)carbonothioyl](pentyl)amino]-1H-imidazole-5-carboxamide

생성물 1

HCID 576002363-Pentyl-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one수율 94%

시약·촉매·용매 1

HCID 962Water용매

실험 절차

A mixture of 4-[[(benzoylamino)carbonothioyl](pentyl)amino]-1H-imidazole-5-carboxamide (11.8 g, 0.0263 mol) and 1 M of sodium hydroxide in water (75 mL) was heated to reflux for 3 h. Solid was formed in the reaction mixture. The reaction mixture was adjusted to pH 3-4 with concentrated HCl with cooling in an ice bath. The solid was filtered, washed with water and air-dried to give the product (9.0 g, 65% purity, 94% yield). The product was used for the next step without further purification. LCMS calculated for C10H15N4OS (M+H): 239.1. found: 239.1.

후처리

  1. temperaturewas heated
  2. temperatureto reflux for 3 h
  3. customSolid was formed in the reaction mixture
  4. temperaturewith cooling in an ice bath
  5. filtrationThe solid was filtered
  6. washwashed with water
  7. customair-dried
  8. customto give the product (9.0 g, 65% purity, 94% yield)
  9. customThe product was used for the next step without further purification

출처 및 근거

ORD 기록
ord-f1a1213ae8f244a8823d3164d011cc75
출처 데이터셋
uspto-grants-2011_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08039478B2

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