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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethyl isocyanate → 1-(5,7-Dibromo-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-urea

HRID 712191
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HRID 712191 반응식
[Br:1][C:2]1[C:3]([O:13][CH3:14])=[C:4]([Br:12])[C:5]2[S:9][C:8]([NH2:10])=[N:7][C:6]=2[CH:11]=1.C(N(CC)CC)C.[CH2:22]([N:24]=[C:25]=[O:26])[CH3:23]>CS(C)=O.O>[Br:1][C:2]1[C:3]([O:13][CH3:14])=[C:4]([Br:12])[C:5]2[S:9][C:8]([NH:10][C:25]([NH:24][CH2:22][CH3:23])=[O:26])=[N:7][C:6]=2[CH:11]=1
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참가 물질

6

반응물 3

HCID 8022Ethyl isocyanate2회HCID 8471TriethylamineHCID 866639675,7-Dibromo-6-methoxy-1,3-benzothiazol-2-amine

생성물 1

HCID 866639681-(5,7-Dibromo-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-urea

시약·촉매·용매 2

HCID 679Dimethyl Sulfoxide용매HCID 962Water
용매

실험 절차

5,7-Dibromo-6-methoxy-1,3-benzothiazol-2-amine (208 mg, 0.62 mmol) was dissolved in anhydrous DMSO (1 mL) and triethylamine (0.189 mL, 1.35 mmol) followed by ethyl isocyanate (0.058 mL, 0.74 mmol). The mixture was stirred at rt. A further aliquot of ethyl isocyanate (0.058 mL, 0.74 mmol) was added after 3 h. After 3.75 h, the mixture was diluted with water and extracted into EtOAc (3×30 mL). The combined organic phases were washed with water and brine, dried over Na2SO4 and concentrated to dryness under reduced pressure. The desired compound was obtained as a pale yellow solid, 234 mg (93%). The material was used without further purification in the next step. m/z: 407.83/409.83/411.81 [M+H]+.

후처리

  1. extractionextracted into EtOAc (3×30 mL)
  2. washThe combined organic phases were washed with water and brine
  3. dry with materialdried over Na2SO4
  4. concentrationconcentrated to dryness under reduced pressure

출처 및 근거

ORD 기록
ord-ae00cc4fc375451c9f709656272e723e
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09181234B2

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