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Dicyclohexylcarbodiimide → (R)-benzyl 1-(6-(3-chlorophenylamino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethylcarbamate

HRID 446910
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인쇄 미리보기

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HRID 446910 반응식
[SH:1][C:2]1[N:3]([NH2:20])[C:4]([C@H:7]([NH:9][C:10](=[O:19])[O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH3:8])=[N:5][N:6]=1.[Cl:21][C:22]1[CH:23]=[C:24]([N:28]=[C:29]=S)[CH:25]=[CH:26][CH:27]=1.C1(N=C=NC2CCCCC2)CCCCC1>C(O)C.CCOCC>[Cl:21][C:22]1[CH:23]=[C:24]([NH:28][C:29]2[S:1][C:2]3=[N:6][N:5]=[C:4]([C@H:7]([NH:9][C:10](=[O:19])[O:11][CH2:12][C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=4)[CH3:8])[N:3]3[N:20]=2)[CH:25]=[CH:26][CH:27]=1
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참가 물질

6

반응물 3

HCID 10868DicyclohexylcarbodiimideHCID 754493-Chlorophenyl isothiocyanateHCID 178462184HCID 178462184, 화합물

생성물 1

HCID 86642295(R)-benzyl 1-(6-(3-chlorophenylamino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethylcarbamate수율 48.7%

시약·촉매·용매 2

HCID 702Ethanol용매
HCID 3283
Diethyl Ether
용매

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온도
80 °C

실험 절차

(Step 8-ii) A mixture of (R)-benzyl 1-(5-mercapto-4-amino-4H-1,2,4-triazol-3-yl)ethylcarbamate (1.32 g, 4.5 mmol) in ethanol (15 mL) was heated to 80° C. and 3-chlorophenylisothiocyanate (1.3 g, 7.65 mmol) and dicyclohexylcarbodiimide (1.11 g, 5.4 mmol) were added. After 4 hours, the reaction was cooled, diluted with an equal volume of ether, and filtered. The filter cake was washed with additional ether and the collected solids dried in vacuo to provide 0.94 g of (R)-benzyl 1-(6-(3-chlorophenylamino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethylcarbamate: ESMS MH+=429.

후처리

  1. temperaturethe reaction was cooled
  2. filtrationfiltered
  3. washThe filter cake was washed with additional ether
  4. customthe collected solids dried in vacuo

출처 및 근거

ORD 기록
ord-99b478e2c89843c2a1f93812d9885667
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08481538B2

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