Hydrochloric Acid → HCID 178460024, 화합물

HRID 2183280

반응식

HRID 2183280 반응식
O1CCCCC1[N:7]1[C:15]2[C:10](=[CH:11][C:12]([C:16]3[N:20]=[CH:19][N:18](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[N:17]=3)=[CH:13][CH:14]=2)[C:9]([C:40]2[CH:41]=[C:42]([NH:46][C:47](=[O:56])[CH:48]([CH:50]3[CH2:55][CH2:54][CH2:53][NH:52][CH2:51]3)[CH3:49])[CH:43]=[CH:44][CH:45]=2)=[N:8]1.Cl.C([O-])(O)=O.[Na+]>O1CCOCC1>[NH:18]1[CH:19]=[N:20][C:16]([C:12]2[CH:11]=[C:10]3[C:15](=[CH:14][CH:13]=2)[NH:7][N:8]=[C:9]3[C:40]2[CH:41]=[C:42]([NH:46][C:47](=[O:56])[CH:48]([CH:50]3[CH2:55][CH2:54][CH2:53][NH:52][CH2:51]3)[CH3:49])[CH:43]=[CH:44][CH:45]=2)=[N:17]1

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 516892Sodium BicarbonateHCID 69423159N-(3-{1-Perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)-3-piperidylpropanamide

생성물 1

HCID 178460024HCID 178460024, 화합물수율 38%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

N-(3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)-3-piperidylpropanamide was 4 mL of 4.0 N HCl in 1,4-dioxane. The reaction mixture was stirred at room temperature overnight. After neutralization with a saturated aqueous solution of NaHCO3, the crude reaction mixture was evaporated to dryness and purified by preparative HPLC (0.106 g, 38% yield over 2 steps): 1H NMR (CD3OD) δ 8.73 (br s, 1H), 8.35 (br s, 1H), 8.17 (t, 1H), 8.1 (dd, 1H), 7.7-7.6 (m, 3H), 7.5 (t, 1H), 2.8 (t, 2H), 2.66 (t, 2H), 2.58 (br s, 4H), 1.65 (m, 4H), 1.5 (m, 2H); ES-MS (m/z) 416 [M+H]+.

후처리

  1. customwas evaporated to dryness
  2. custompurified by preparative HPLC (0.106 g, 38% yield over 2 steps)

출처 및 근거

ORD 기록
ord-072d14dff9d04e978d08300ae4b80fd4
출처 데이터셋
uspto-grants-2005_05
특허 번호
US06897231B2

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