홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Sodium Bicarbonate → 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide

HRID 13780
노트
인쇄 미리보기

반응식

HRID 13780 반응식
[CH3:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[NH:9][C:10]1[N:15]=[C:14]([C:16]2[CH:17]=[N:18][CH:19]=[N:20][CH:21]=2)[CH:13]=[CH:12][N:11]=1.Cl.[F:23][CH:24]([F:42])[C:25]1[CH:26]=[C:27]([CH:31]=[CH:32][C:33]=1[CH2:34][N:35]1[CH2:40][CH2:39][N:38]([CH3:41])[CH2:37][CH2:36]1)[C:28](Cl)=[O:29].C(=O)([O-])O.[Na+]>N1C=CC=CC=1>[F:42][CH:24]([F:23])[C:25]1[CH:26]=[C:27]([CH:31]=[CH:32][C:33]=1[CH2:34][N:35]1[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]1)[C:28]([NH:6][C:5]1[CH:7]=[CH:8][C:2]([CH3:1])=[C:3]([NH:9][C:10]2[N:15]=[C:14]([C:16]3[CH:17]=[N:18][CH:19]=[N:20][CH:21]=3)[CH:13]=[CH:12][N:11]=2)[CH:4]=1)=[O:29]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 516892Sodium BicarbonateHCID 231458394-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]anilineHCID 231459013-Difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)benzoyl chloride hydrochloride

생성물 1

HCID 113532833-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide수율 68.7%

시약·촉매·용매 1

HCID 1049
Pyridine
용매

실험 절차

1.98 g of 4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline (Reference Example 18) was dissolved in 35 ml of anhydrous pyridine and 2.90 g of 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)benzoyl chloride hydrochloride (Reference Example 9) was added, followed by stirring at room temperature for 2 hours. To the reaction solution, ice water and an aqueous saturated sodium hydrogen carbonate solution were added and then the mixture was subjected to extraction with ethyl acetate. The extract was washed with water and dried over anhydrous magnesium sulfate, and then the solvent was distilled off under reduced pressure. The crude crystals were washed with chloroform-diethyl ether (1:1) to obtain 2.66 g of the objective compound as pale brown crystals.

후처리

  1. extractionthe mixture was subjected to extraction with ethyl acetate
  2. washThe extract was washed with water
  3. dry with materialdried over anhydrous magnesium sulfate
  4. distillationthe solvent was distilled off under reduced pressure
  5. washThe crude crystals were washed with chloroform-diethyl ether (1:1)

출처 및 근거

ORD 기록
ord-97a6f9f15c7a4dcea1e2fabf5609afdc
출처 데이터셋
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07728131B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트