2-Chloro-6-Methylphenyl Isothiocyanate → HCID 178496983、化合物

HRID 1898308

反応式

HRID 1898308 の反応式
[NH2:1][C:2]1[C:7]2[CH2:8][C:9]([CH3:12])([CH3:11])[O:10][C:6]=2[C:5]([C:13]([O:15][CH3:16])=[O:14])=[CH:4][C:3]=1[NH2:17].[Cl:18][C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([CH3:25])[C:20]=1[N:26]=[C:27]=S>C(#N)C>[Cl:18][C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([CH3:25])[C:20]=1[NH:26][C:27]1[NH:1][C:2]2[C:7]3[CH2:8][C:9]([CH3:12])([CH3:11])[O:10][C:6]=3[C:5]([C:13]([O:15][CH3:16])=[O:14])=[CH:4][C:3]=2[N:17]=1

参加物

4

反応物 2

HCID 37317252-Chloro-6-Methylphenyl IsothiocyanateHCID 67503724HCID 67503724、化合物

生成物 1

HCID 178496983HCID 178496983、化合物収率 51%

試薬・触媒・溶媒 1

HCID 6342Acetonitrile溶媒

実験手順

The title compound was prepared following the procedure described for Step-1 of Intermediate-3 using methyl 4,5-diamino-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate (Intermediate-1, 0.600 g, 2.54 mmol), acetonitrile (10.0 mL), 1-chloro-2-isothiocyanato-3-methylbenzene (Intermediate-34, 0.500 g, 2.73 mmol) and N,N-di-isopropyl carbodimide (0.300 g) to afford 0.500 g of the desired product. 1HNMR (DMSO-d6): δ 1.42 (s, 6H), 2.23 (s, 3H), 2.98 (s, 2H), 3.71 (s, 3H), 7.02 (d, J=7.5 Hz, 1H), 7.23-7.41 (m, 3H), 9.00 (s, 1H), 10.82 (s, 1H); MS [M+H]+: 386.32.

後処理

  1. customThe title compound was prepared

出典と根拠

ORDレコード
ord-f095d5ae8b8a438eac4a9ecfb78dbcd2
出典データセット
uspto-grants-2013_08
特許番号
US08519149B2

関連ノート

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