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Diisopropylethylamine → [5-(2-Chloro-6-methyl-pyridin-4-yl)-3-(2,2-difluoro-benzo[1,3]dioxol-5-ylamino)-[1,2,4]triazol-1-yl]acetic acid ethyl ester

HRID 1952183
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인쇄 미리보기

반응식

HRID 1952183 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([CH:23]=[C:24]([CH3:26])[N:25]=1)[C:5]([NH:7][CH:8]([NH:11][C:12]1[CH:22]=[CH:21][C:15]2[O:16][C:17]([F:20])([F:19])[O:18][C:14]=2[CH:13]=1)SC)=O.Cl.[CH2:28]([O:30][C:31](=[O:35])[CH2:32][NH:33][NH2:34])[CH3:29].C(N(C(C)C)C(C)C)C>CC(O)(C)C>[CH2:28]([O:30][C:31](=[O:35])[CH2:32][N:33]1[C:5]([C:4]2[CH:23]=[C:24]([CH3:26])[N:25]=[C:2]([Cl:1])[CH:3]=2)=[N:7][C:8]([NH:11][C:12]2[CH:22]=[CH:21][C:15]3[O:16][C:17]([F:20])([F:19])[O:18][C:14]=3[CH:13]=2)=[N:34]1)[CH3:29]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 81531DiisopropylethylamineHCID 11593468Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1)HCID 866457122-Chloro-N-[(2,2-difluoro-benzo[1,3]dioxol-5-ylamino)-methylsulfanyl-methyl]-6-methyl-isonicotinamide

생성물 1

HCID 59497767[5-(2-Chloro-6-methyl-pyridin-4-yl)-3-(2,2-difluoro-benzo[1,3]dioxol-5-ylamino)-[1,2,4]triazol-1-yl]acetic acid ethyl ester

시약·촉매·용매 1

HCID 6386
tert-Butanol
용매

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온도
60 °C

실험 절차

Intermediate D2 (13.6 g; 0.0340 mol), 2-hydrazinylacetic acid ethyl ester, hydrochloride (1:1) (10.5 g; 0.0680 mol), N-ethyl-N-(1-methylethyl)-2-propanamine (13.2 g; 0.1020 mol) and t-BuOH (400 ml) were refluxed for 2 hours. The reaction mixture was then evaporated. Water was added and the product was extracted with CH2Cl2. The organic layer was dried on MgSO4, filtered and evaporated in vacuo. The residue was then heated to 60° C. in ethanol/HCl for 1 hour. The reaction mixture was partly evaporated and, the precipitate was filtered off and dried. Yield: 4.57 g of intermediate D3.

후처리

  1. customThe reaction mixture was then evaporated
  2. additionWater was added
  3. extractionthe product was extracted with CH2Cl2
  4. customThe organic layer was dried on MgSO4
  5. filtrationfiltered
  6. customevaporated in vacuo
  7. customThe reaction mixture was partly evaporated
  8. filtrationthe precipitate was filtered off
  9. customdried

출처 및 근거

ORD 기록
ord-19877f1f04394416b80a1aeff2f3b118
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08404851B2

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