HRID34705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)N1C(=O)COc2cc(N)c(O)cc21

HCID21298675

未命名化合物

PRODUCTS

生成物

结构：CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)N1C(=O)COc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c(O)cc21

HCID86740820

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

4-Trifluoromethylphenylisocyanate (2.55 g, 0.0136 mole) was added to the amine ((g), 6.56 g, 0.0136 mole) in THF (ml 100). After 1 hour stirring, the solution was evaporated to dryness and the residue crystallized from toluene to give the coupler ((h), 6 g, 67%) as white prisms. The product structure was confirmed by NMR analysis.

WORKUP

后处理

customthe solution was evaporated to dryness
customthe residue crystallized from toluene

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdd15068de3742a7b850ca63c0514cab
来源数据集: uspto-grants-1988_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04762925
来源说明: uspto-grants-1988_08

反应 SMILES

[F:1][C:2]([F:13])([F:12])[C:3]1[CH:8]=[CH:7][C:6]([N:9]=[C:10]=[O:11])=[CH:5][CH:4]=1.[C:14]([C:19]1[CH:43]=[C:42]([C:44]([CH2:47][CH3:48])([CH3:46])[CH3:45])[CH:41]=[CH:40][C:20]=1[O:21][CH:22]([CH2:38][CH3:39])[C:23]([N:25]1[C:30]2[CH:31]=[C:32]([OH:36])[C:33]([NH2:35])=[CH:34][C:29]=2[O:28][CH2:27][C:26]1=[O:37])=[O:24])([CH2:17][CH3:18])([CH3:16])[CH3:15]>C1COCC1>[C:14]([C:19]1[CH:43]=[C:42]([C:44]([CH2:47][CH3:48])([CH3:45])[CH3:46])[CH:41]=[CH:40][C:20]=1[O:21][CH:22]([CH2:38][CH3:39])[C:23]([N:25]1[C:30]2[CH:31]=[C:32]([OH:36])[C:33]([NH:35][C:10]([NH:9][C:6]3[CH:5]=[CH:4][C:3]([C:2]([F:12])([F:13])[F:1])=[CH:8][CH:7]=3)=[O:11])=[CH:34][C:29]=2[O:28][CH2:27][C:26]1=[O:37])=[O:24])([CH2:17][CH3:18])([CH3:16])[CH3:15]