Azepane → 5-Azepan-1-yl-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide

HRID 12861

반응식

HRID 12861 반응식
[CH:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH:2]1[NH:11][C:12]([C:14]1[CH:15]=[N:16][N:17]([CH3:20])[C:18]=1Cl)=[O:13])[CH2:8]2.[NH:21]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1>>[CH:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH:2]1[NH:11][C:12]([C:14]1[CH:15]=[N:16][N:17]([CH3:20])[C:18]=1[N:21]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1)=[O:13])[CH2:8]2

참가 물질

3

반응물 2

HCID 8119AzepaneHCID 250135435-chloro-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide

생성물 1

HCID 250144205-Azepan-1-yl-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide

실험 절차

Heating a mixture of 5-chloro-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide (Example 5, 60 mg; 0.20 mmol) and azepane (0.23 mL; 2.0 mmol) to 250° C. under microwave irradiation according to the procedure described in Example 14 provided after purification by reverse phase HPLC, 5-azepan-1-yl-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide (41 mg, 58%) as an off-white powder. ES-HRMS m/e calcd for C21H33N4O (M+H+) 357.2649, found 357.2644.

후처리

  1. temperatureHeating
  2. customunder microwave irradiation
  3. customprovided
  4. customafter purification by reverse phase HPLC, 5-azepan-1-yl-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide (41 mg, 58%) as an off-white powder

출처 및 근거

ORD 기록
ord-299c12e200cb46d8951cfb10b7c31bdf
출처 데이터셋
uspto-grants-2010_06
특허 번호
US07728029B2

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