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Ammonia → (4r)-4-(5-tert-Butyl-1,3,4-thiadiazol-2-yloxy)-1-azatricyclo[3.3.1.13,7]decane p-toluenesulfonate

HRID 878433
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HRID 878433 반응식
[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7]([OH:10])(=[O:9])=[O:8])=[CH:3][CH:2]=1.[C:12]1(C)C=CC(S(O)(=O)=O)=CC=1.N1[CH:27]=[C:26]([C:28]2[S:32][C:31]([O:33][C@@H:34]3[CH:41]4[CH2:42][N:37]5[CH2:38][CH:39]([CH2:43][CH:35]3[CH2:36]5)[CH2:40]4)=[N:30][N:29]=2)[CH:25]=N1.N>>[C:1]1([CH3:11])[CH:2]=[CH:3][C:4]([S:7]([OH:10])(=[O:8])=[O:9])=[CH:5][CH:6]=1.[C:26]([C:28]1[S:32][C:31]([O:33][C@@H:34]2[CH:41]3[CH2:42][N:37]4[CH2:38][CH:39]([CH2:43][CH:35]2[CH2:36]4)[CH2:40]3)=[N:30][N:29]=1)([CH3:27])([CH3:12])[CH3:25]
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참가 물질

3

반응물 2

HCID 222AmmoniaHCID 136406836(4s)-4-[5-(Pyrazol-4-yl)-1,3,4-thiadiazol-2-yloxy]-1-azatricyclo[3.3.1.13,7]decane bis(p-toluenesulfonate)

생성물 1

HCID 86621352(4r)-4-(5-tert-Butyl-1,3,4-thiadiazol-2-yloxy)-1-azatricyclo[3.3.1.13,7]decane p-toluenesulfonate

실험 절차

The free base of the title compound was prepared from the product of Example 56A (929 mg, 3.02 mmol) according to Method C, and then converted to the p-toluenesulfonate salt using the procedure of Method H: 1H NMR (300 MHz, methanol-D4) δ ppm 1.42 (s, 9H) 1.99 (d, J=13.6 Hz, 2H), 2.21 (s, 1H), 2.32 (s, 2H), 2.36 (s, 3H), 2.73 (s, 2H), 3.52-3.81 (m, 6H), 5.52 (s, 1H), 7.23 (d, J=7.8 Hz, 2H), 7.70 (d, J=8.1 Hz, 2H). MS (DCI/NH3) m/z=294 (M+H)+. Anal. Calcd. for C15H23N3OS.C7H8O3S: C, 56.75; H, 6.71; N, 9.02. Found: C, 56.62; H, 6.81; N, 8.98.

출처 및 근거

ORD 기록
ord-d141bb1f2cac4596a46f7ff7150cfb6f
출처 데이터셋
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08987453B2

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