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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → N-(2-Aminoethyl)-N'-[6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]urea Dihydrochloride

HRID 541769
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인쇄 미리보기

반응식

HRID 541769 반응식
[Cl:1][C:2]1[CH:3]=[N:4][C:5]2[NH:6][C:7]3[CH:8]=[CH:9][CH:10]=[C:11]([CH:37]=3)[CH2:12][CH2:13][C:14]3[CH:22]=[C:18]([NH:19][C:20]=1[N:21]=2)[CH:17]=[CH:16][C:15]=3[NH:23][C:24]([NH:26][CH2:27][CH2:28][NH:29]C(=O)OC(C)(C)C)=[O:25].[ClH:38].O1CCOCC1>C(Cl)Cl.CCOCC>[ClH:1].[ClH:38].[NH2:29][CH2:28][CH2:27][NH:26][C:24]([NH:23][C:15]1[CH:16]=[CH:17][C:18]2[NH:19][C:20]3[N:21]=[C:5]([NH:6][C:7]4[CH:8]=[CH:9][CH:10]=[C:11]([CH:37]=4)[CH2:12][CH2:13][C:14]=1[CH:22]=2)[N:4]=[CH:3][C:2]=3[Cl:1])=[O:25]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 57962053Tert-butyl {2-[({[6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]amino}carbonyl)amino]ethyl}carbamate

생성물 1

HCID 66897172N-(2-Aminoethyl)-N'-[6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]urea Dihydrochloride수율 79%

시약·촉매·용매

2
HCID 3283Diethyl Ether용매HCID 6344Dichloromethane용매

실험 절차

To a solution of tert-butyl {2-[({[6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]amino}carbonyl)amino]ethyl}carbamate (326 mg, 0.622 mmol) in DCM (12 mL) was added 4.0 M of hydrogen chloride in 1,4-dioxane (0.544 mL, 2.18 mmol). After stirring overnight, the reaction solution was diluted with ether. The resulting precipitate was filtered and dried under vacuum to give the desired product (245 mg, 79%). LCMS calculated for C21H23ClN7O (M+H)+: m/z=424.2.

후처리

  1. filtrationThe resulting precipitate was filtered
  2. customdried under vacuum

출처 및 근거

ORD 기록
ord-bd7b992b5f084d47adafa8f05af4de94
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08871753B2

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