Benzoyl isocyanate → HCID 66745791, 화합물

HRID 711756노트

반응식

HRID 711756 반응식
[NH2:1][C:2]1[S:10][C:5]2[CH2:6][O:7][CH2:8][CH2:9][C:4]=2[C:3]=1[C:11]#[N:12].[C:13]([N:21]=[C:22]=[O:23])(=[O:20])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>O1CCOCC1>[C:11]([C:3]1[C:4]2[CH2:9][CH2:8][O:7][CH2:6][C:5]=2[S:10][C:2]=1[NH:1][C:22]([NH:21][C:13](=[O:20])[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)=[O:23])#[N:12]

참가 물질

4

반응물 2

HCID 78210Benzoyl isocyanateHCID 7377432-Amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile

생성물 1

HCID 66745791HCID 66745791, 화합물수율 80%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

To a solution of 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile (Example 146b) (400 mg, 2.22 mmol) in 1,4-dioxane (30 mL) was added benzoyl isocyanate (327 mg, 2.22 mmol). The reaction mixture was then stirred at room temperature under nitrogen overnight. The precipitate was collected by filtration, washed with 1,4-dioxane, and dried in the air to give the title compound (577 mg, 80%) as a light yellow solid. 1H NMR (400 MHz, DMSO-d6) δ 2.62 (t, J=5.2 Hz, 2H), 3.87 (t, J=5.2 Hz, 2H), 4.62 (s, 2H), 7.56-7.53 (m, 2H), 7.67-7.65 (m, 1H), 8.04-8.01 (m, 2H), 11.60 (brs, 1H), 12.13 (brs, 1H).

후처리

  1. filtrationThe precipitate was collected by filtration
  2. washwashed with 1,4-dioxane
  3. customdried in the air

출처 및 근거

ORD 기록
ord-b9fa02170b2c40a2a722f9d7b5530240
출처 데이터셋
uspto-grants-2015_11
특허 번호
US09181276B2

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