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Triethylamine → N-[2-(cyanomethyl)-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl]-N'-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]urea

HRID 1715302
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인쇄 미리보기

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HRID 1715302 반응식
[CH:1]([C:4]1[O:8][N:7]=[C:6]([CH2:9][CH2:10][NH2:11])[N:5]=1)([CH3:3])[CH3:2].[CH2:12]([N:14](CC)CC)C.[C:19]([NH:22][C:23]1[S:24][C:25]([C:29]2[N:30]=[C:31]([C:34](NCC3CCCO3)=O)[S:32][CH:33]=2)=[C:26]([CH3:28])[N:27]=1)(=[O:21])C>CN(C=O)C>[C:12]([CH2:34][C:31]1[S:32][CH:33]=[C:29]([C:25]2[S:24][C:23]([NH:22][C:19]([NH:11][CH2:10][CH2:9][C:6]3[N:5]=[C:4]([CH:1]([CH3:3])[CH3:2])[O:8][N:7]=3)=[O:21])=[N:27][C:26]=2[CH3:28])[N:30]=1)#[N:14]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 8471TriethylamineHCID 119895252'-(Acetylamino)-4'-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5'-bi-1,3-thiazole-2-carboxamide2회HCID 176049972-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)ethan-1-amine

생성물 1

HCID 11988783N-[2-(cyanomethyl)-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl]-N'-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]urea

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

2-(5-Isopropyl-1,2,4-oxadiazol-3-yl)ethanamine (Amine 16) (129.2 mg; 0.48 mmol; 2 eq) is dissolved in DMF (4 ml). Triethylamine (133 μl; 0.96 mmol; 4 eq) and N-[2-(cyanomethyl)-4′-methyl-4,5′-bi-1,3-thiazol-2′-yl]-1H-imidazole-1-carboxamide (Intermediate 6) (79.3 mg; 0.24 mmol; 1 eq) are added. After less than 1 min the mixture becomes homogeneous, and after 30 min the reaction is complete. Solvents are evaporated and the resulting crude product is purified by preparative HPLC. The purified fractions are neutralized with NaHCO3 sat. solution and the desired product is extracted with DCM. The combined organic layers are dried over MgSO4, filtered and concentrated to Compound (82) as a white powder (29.6 mg; 30%).

후처리

  1. waitAfter less than 1 min the mixture becomes homogeneous
  2. customSolvents are evaporated
  3. customthe resulting crude product is purified by preparative HPLC
  4. extractionthe desired product is extracted with DCM
  5. dry with materialThe combined organic layers are dried over MgSO4
  6. filtrationfiltered
  7. concentrationconcentrated to Compound (82) as a white powder (29.6 mg; 30%)

출처 및 근거

ORD 기록
ord-97a1fd9d9eed4e2b9cd1e0c608ad8d60
출처 데이터셋
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07799814B2

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