(5-amino-1H-1,2,4-triazol-3-yl)methanol → (6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

HRID 858626

반응식

HRID 858626 반응식
[NH2:1][C:2]1[N:6]=[C:5]([CH2:7][OH:8])[NH:4][N:3]=1.CCO/[CH:12]=[C:13](/[CH:15]=O)\[CH3:14]>C(O)(=O)C>[CH3:15][C:13]1[CH:12]=[N:1][C:2]2[N:3]([N:4]=[C:5]([CH2:7][OH:8])[N:6]=2)[CH:14]=1

참가 물질

4

반응물 2

HCID 222697(5-amino-1H-1,2,4-triazol-3-yl)methanolHCID 30848683-Ethoxy-2-methylacrylaldehyde

생성물 1

HCID 58762279(6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

시약·촉매·용매 1

HCID 176Acetic Acid용매

반응 조건

온도
80 °C

실험 절차

To a solution of (3-amino-1H-1,2,4-triazol-5-yl)methanol (16.6 g, 87.6 mmol) in acetic cid was added 3-ethoxymethacrolein (10.0 g, 87.6 mmol), and the mixture was heated to 80° C. for 4 hours. Upon cooling of the reaction, the product crystallized out of solution. The collected product was a white solid (14.0 g, 92%). 1H NMR (300 MHz, DMSO-D6) δ: 2.38 (m, 3 H) 4.63 (m, 2 H) 5.52 (m, 1 H) 8.75 (m, 1 H) 9.21 (m, 1 H). MS (APCI, M+H+): 163.1, 165.1.

후처리

  1. temperatureUpon cooling of the reaction
  2. customthe product crystallized out of solution

출처 및 근거

ORD 기록
ord-21c94ad9ff1c42edb130995cc29ab90b
출처 데이터셋
uspto-grants-2006_12
특허 번호
US07148226B2

연결된 노트

불러오는 중…