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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0

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Acetonitrile → 1-(2-Chloro-5-thiazolylmethyl)-3,3-dimethyl-2-nitro-1-phenoxythiocarbonylguanidine

HRID 1657037

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HRID 1657037 반응식

[Cl:1][C:2]1[S:3][C:4]([CH2:7][NH:8][C:9]([N:14]([CH3:16])[CH3:15])=[N:10][N+:11]([O-:13])=[O:12])=[CH:5][N:6]=1.C([O-])([O-])=O.[K+].[K+].CC#N.[CH:26]1[CH:31]=[CH:30][C:29]([O:32][C:33](Cl)=[S:34])=[CH:28][CH:27]=1>O>[Cl:1][C:2]1[S:3][C:4]([CH2:7][N:8]([C:33]([O:32][C:29]2[CH:30]=[CH:31][CH:26]=[CH:27][CH:28]=2)=[S:34])[C:9]([N:14]([CH3:16])[CH3:15])=[N:10][N+:11]([O-:13])=[O:12])=[CH:5][N:6]=1

참가 물질 실험 절차 후처리 출처 및 근거 반응 노트

참가 물질

6

반응물 4

HCID 6342Acetonitrile

HCID 11430Potassium Carbonate

HCID 70498Phenyl thioxochloroformate

HCID 136218199N-(2-chloro-5-thiazolylmethyl)-N',N'-dimethyl-N"-nitroguanidine

생성물 1

HCID 538143491-(2-Chloro-5-thiazolylmethyl)-3,3-dimethyl-2-nitro-1-phenoxythiocarbonylguanidine수율 75.8%

시약·촉매·용매 1

HCID 962

Water

용매

실험 절차

To a mixture of 1-(2-chloro-5-thiazolylmethyl)-3,3-dimethyl-2-nitroguanidine (200 mg), K2CO3 (420 mg) and CH3CN (13 ml) was added phenyl chlorothionoformate (260 mg) dropwise in 3 minutes at 3° C. under stirring. After stirring at room temperature for 4 hours, water (10 ml) was added to the mixture which was extracted with CHCl3 (20 ml). The organic layer was dried over MgSO4 and evaporated in vacuo. The residue was crystallized from AcOEt-Et2O to afford 230 mg of 1-(2-chloro-5-thiazolylmethyl)-3,3-dimethyl-2-nitro-1-phenoxythiocarbonylguanidine (Compound No. 44) as a white crystal, m.p. 161°-162° C.

후처리

stirringAfter stirring at room temperature for 4 hours
extractionwas extracted with CHCl3 (20 ml)
dry with materialThe organic layer was dried over MgSO4
customevaporated in vacuo
customThe residue was crystallized from AcOEt-Et2O

출처 및 근거

ORD 기록: ord-fba465e79bf647b3bec8433209485ee8
출처 데이터셋: uspto-grants-1993_10
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US05256679

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