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Hydrogen Sulfide → 2-Diethoxyphosphorylethanethioamide

HRID 1683335
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HRID 1683335 반응식
[CH3:1][CH2:2][O:3][P:4]([O:9][CH2:10][CH3:11])([CH2:6][C:7]#[N:8])=[O:5].C(N(CC)CC)C.N1C=CC=CC=1.[SH2:25]>>[CH2:10]([O:9][P:4]([CH2:6][C:7]([NH2:8])=[S:25])(=[O:5])[O:3][CH2:2][CH3:1])[CH3:11]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 402Hydrogen SulfideHCID 1049PyridineHCID 8471TriethylamineHCID 75676Diethyl (cyanomethyl)phosphonate

생성물 1

HCID 34617792-Diethoxyphosphorylethanethioamide수율 85%

실험 절차

A 250-mL round-bottom flask equipped with a dry-ice condenser and drying tube filled with potassium hydroxide pellets, was charged with 50.0 g (0.2822 mol) of diethyl cyanomethyl phosphonate (Aldrich Lot HY0151136Y), 79.0 mL (0.5668 mol) of triethylamine and 53.0 mL (0.6553 mol) of pyridine. To the resulting solution was added 3.3 g (0.390 mol) of hydrogen sulfide via submerged tube. The reaction flask was stoppered and stirred overnight (small samples were withdrawn, evaporated at 55° C. and 10 torr, redissolved in CDCl3 and checked by NMR spectroscopy for completion of reaction). After about 16 hours, the reaction mixture was evaporated at 55° C. and 10 torr, the crystalline residue was taken up in 200 mL of dichloromethane and the resulting solution was washed with 200 mL of a 1:1 water-saturated sodium chloride solution. The aqueous phase was reextracted with 100 mL of dichloromethane. 50 mL of 1:1 water-saturated sodium chloride solution was used to wash the first extract and then the second. The extracts were combined, dried over sodium sulfate, and evaporated to yield 50.46 g of (2-amino-2-thioxoethyl)phosphonic acid diethyl ester as an off-white, crystalline material after drying at 45° C. and 10 tort, 85% yield.

후처리

  1. customA 250-mL round-bottom flask equipped with a dry-ice condenser
  2. customdrying tube
  3. additionfilled with potassium hydroxide pellets
  4. custom(small samples were withdrawn, evaporated at 55° C. and 10 torr, redissolved in CDCl3 and checked by NMR spectroscopy for completion of reaction)
  5. waitAfter about 16 hours
  6. customthe reaction mixture was evaporated at 55° C.
  7. washthe resulting solution was washed with 200 mL of a 1:1 water-saturated sodium chloride solution
  8. washto wash the
  9. extractionfirst extract
  10. dry with materialdried over sodium sulfate
  11. customevaporated

출처 및 근거

ORD 기록
ord-2a1486b73e77480b8fb60ec148a3d230
출처 데이터셋
uspto-grants-1997_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05637720

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