HRID1618339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)COc1ccc(C2(Nc3nc(Nc4ccc(C(=O)OC(C)(C)C)cc4)nc(OCC(F)(F)F)n3)CC2)cc1

HCID68182911

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(C2(Nc3nc(Nc4ccc(C(=O)O)cc4)nc(OCC(F)(F)F)n3)CC2)cc1

HCID68033137

未命名化合物

收率 103.9%

PROCEDURE

实验过程

tert-butyl 4-(4-(1-(4-(2-ethoxy-2-oxoethoxy)phenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate (350 mg, 0.580 mmol) and 4 N HCl in Dioxane (2 mL, 8.00 mmol) were stirred for 1 h then concentrated under vacuum to give 4-(4-(1-(4-(2-ethoxy-2-oxoethoxy)phenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid (330 mg) which was used in the next step without purification. LC-MS (Condition A), MS m/z (M++H) 548.0.

WORKUP

后处理

concentrationthen concentrated under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fcb96c88c6f42259ee29c8e91702320
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08765944B2
来源说明: uspto-grants-2014_07

反应 SMILES

[CH2:1]([O:3][C:4](=[O:43])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2([NH:16][C:17]3[N:22]=[C:21]([O:23][CH2:24][C:25]([F:28])([F:27])[F:26])[N:20]=[C:19]([NH:29][C:30]4[CH:42]=[CH:41][C:33]([C:34]([O:36]C(C)(C)C)=[O:35])=[CH:32][CH:31]=4)[N:18]=3)[CH2:15][CH2:14]2)=[CH:9][CH:8]=1)[CH3:2].Cl.O1CCOCC1>>[CH2:1]([O:3][C:4](=[O:43])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2([NH:16][C:17]3[N:22]=[C:21]([O:23][CH2:24][C:25]([F:28])([F:26])[F:27])[N:20]=[C:19]([NH:29][C:30]4[CH:42]=[CH:41][C:33]([C:34]([OH:36])=[O:35])=[CH:32][CH:31]=4)[N:18]=3)[CH2:14][CH2:15]2)=[CH:9][CH:8]=1)[CH3:2]