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Hydrochloric Acid → 3-Cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-ol

HRID 1731543
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HRID 1731543 반응식
[BH4-].[Na+].[OH-].[Na+].[CH:5]1([CH2:11][CH:12]([N:22]2[CH:26]=[N:25][CH:24]=[N:23]2)[C:13]([C:15]2([CH3:21])[CH2:20][O:19][CH2:18][O:17][CH2:16]2)=[O:14])[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1.[Cl-].[Ca+2].[Cl-].Cl>C(O)C>[CH:5]1([CH2:11][CH:12]([N:22]2[CH:26]=[N:25][CH:24]=[N:23]2)[CH:13]([C:15]2([CH3:21])[CH2:16][O:17][CH2:18][O:19][CH2:20]2)[OH:14])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1
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참가 물질

7

반응물 5

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 4311764Sodium borohydrideHCID 5284359Calcium ChlorideHCID 134557193-Cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-one

생성물 1

HCID 134557203-Cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-ol
수율 101.8%

시약·촉매·용매 1

HCID 702Ethanol용매2회

실험 절차

A solution of 0.7 g (0.02 mol) of sodium borohydride in 3 ml of 0.1 normal aqueous sodium hydroxide solution is added to a mixture of 6.0 g (0.02 mol) of 3-cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-one, 2.3 g of powdered calcium chloride and 30 ml of ethanol, while cooling with ice. When the evolution of gas has ended, the precipitate formed is dissolved again by addition of 30 ml of ethanol and 50 ml of dilute hydrochloric acid, the solution is concentrated to 60 ml in vacuo and the concentrate is neutralized with aqueous bicarbonate solution and extracted twice with 100 ml of methylene chloride each time. The combined organic phases are washed with water, dried over sodium sulphate and freed from the solvent in vacuo. 6.3 g (100% of theory) of 3-cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-ol are obtained as a colorless oil.

후처리

  1. temperaturewhile cooling with ice
  2. customthe precipitate formed
  3. concentrationthe solution is concentrated to 60 ml in vacuo
  4. extractionextracted twice with 100 ml of methylene chloride each time
  5. washThe combined organic phases are washed with water
  6. dry with materialdried over sodium sulphate

출처 및 근거

ORD 기록
ord-fae2cd460e7249a8b7081c6384830420
출처 데이터셋
uspto-grants-1986_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04622334

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