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

Hydrochloric Acid → 6-Amino-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

HRID 2183478
노트
인쇄 미리보기

반응식

HRID 2183478 반응식
[C:1]([C:3]1[CH:8]=[N:7][N:6]2[CH:9]=[C:10]([NH:13]C(=O)OCC3C=CC=CC=3)[C:11]([CH3:12])=[C:5]2[C:4]=1[NH:24][C:25]1[CH:30]=[CH:29][C:28]([O:31][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[CH:27][CH:26]=1)#[N:2].Cl>CO.[Pd]>[NH2:13][C:10]1[C:11]([CH3:12])=[C:5]2[C:4]([NH:24][C:25]3[CH:26]=[CH:27][C:28]([O:31][C:32]4[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=4)=[CH:29][CH:30]=3)=[C:3]([C:1]#[N:2])[CH:8]=[N:7][N:6]2[CH:9]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 313Hydrochloric AcidHCID 20791574[3-Cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamic Acid, Phenylmethyl Ester

생성물 1

HCID 221794886-Amino-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile수율 109.8%

시약·촉매·용매 2

HCID 23938Palladium촉매HCID 887Methanol
용매

실험 절차

To a solution of compound 11A (40 mg, 0.082 mmol) in MeOH (4 mL) was added Pd/C (12 mg), and the reaction mixture was stirred under hydrogen (1 atm) for 30 minutes, after which time HCl (4M in dioxane, 0.1 mL) was added. The reaction mixture was filtered and the filtrate concentrated in vacuo to provide 32 mg of compound 11B as an orange solid (quantitative yield as HCl salt). HPLC: 100% at 2.90 min (retention time) (YMC S5 ODS column, 4.6×50 mm eluting with 10-90% MeOH/H2O over 4 minutes containing 0.1% TFA; 4 mL/min, monitoring at 220 nm). MS (ES): m/z 356.0 [M+H]+.

후처리

  1. filtrationThe reaction mixture was filtered
  2. concentrationthe filtrate concentrated in vacuo

출처 및 근거

ORD 기록
ord-1e3ea30a36c04c03bbf2f79f461f9400
출처 데이터셋
uspto-grants-2005_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06900208B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트