2-Chloro-6-fluorophenylisothiocyanate → HCID 67503529, 화합물

HRID 1898330노트

반응식

HRID 1898330 반응식
[NH2:1][C:2]1[CH:3]=[C:4]([C:15]([O:17][CH3:18])=[O:16])[C:5]2[O:9][C:8]([CH3:11])([CH3:10])[CH2:7][C:6]=2[C:12]=1[NH:13][CH3:14].[Cl:19][C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([F:26])[C:21]=1[N:27]=[C:28]=S>C(#N)C>[Cl:19][C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([F:26])[C:21]=1[NH:27][C:28]1[N:13]([CH3:14])[C:12]2[C:6]3[CH2:7][C:8]([CH3:11])([CH3:10])[O:9][C:5]=3[C:4]([C:15]([O:17][CH3:18])=[O:16])=[CH:3][C:2]=2[N:1]=1

참가 물질

4

반응물 2

HCID 265991402-Chloro-6-fluorophenylisothiocyanateHCID 67503505Methyl 5-amino-2,2-dimethyl-4-(methylamino)-2,3-dihydrobenzofuran-7-carboxylate

생성물 1

HCID 67503529HCID 67503529, 화합물수율 56.3%

시약·촉매·용매 1

HCID 6342Acetonitrile용매

실험 절차

The title compound was prepared following the procedure described for Step-1 of Intermediate-3 using methyl 5-amino-2,2-dimethyl-4-(methylamino)-2,3-dihydrobenzofuran-7-carboxylate (1.10 g, 4.4 mmol), 1-chloro-3-fluoro-2-isothiocyanatobenzene (Intermediate-14, 1.0 g, 5.3 mmol), N,N-di-isopropyl carbodimide (0.5 mL) and acetonitrile (3.0 mL) to afford 1.0 g of the desired product. 1HNMR (DMSO-d6): δ 1.46 (s, 6H), 3.34 (s, 2H), 3.53 (s, 3H), 3.72 (s, 3H), 7.00 (m, 1H), 7.06 (s, 1H), 7.17 (t, J=9.3 Hz, 1H), 7.28 (d, J=8.4 Hz, 1H), 10.39 (s, 1H).

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-5419672bae014b71bbf1f22cdb22c080
출처 데이터셋
uspto-grants-2013_08
특허 번호
US08519149B2

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