HRID913141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2414110

4-methoxy-3-(2-methylpropoxy)benzaldehyde

C12H16O3

结构：COC(=O)c1cnc(NC2CCNCC2)cc1C(F)(F)F.Cl.Cl

HCID42604213

未命名化合物

2 次

结构：CCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(=O)O)cn3)CC2)ccc1O

HCID67401086

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCC(Nc3cc(C(F)(F)F)c(C(=O)O)cn3)CC2)cc1OCC(C)C

HCID67399976

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the synthesis of 6-[1-(3-ethoxy-4-hydroxy-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinic acid (example 201) from 6-(piperidin-4-ylamino)-4-trifluoromethyl-nicotinic acid methyl ester dihydrochloride (intermediate B7) and 3-isobutoxy-4-methoxy-benzaldehyde (intermediate E12) in a yield of 9.0 mg (12%). MS (ISP): 482.3 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14de9fdae25f4b99b437670a8adb8877
来源数据集: uspto-grants-2011_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08026255B2
来源说明: uspto-grants-2011_09

反应 SMILES

C(OC1C=C(C=CC=1O)CN1CCC(NC2C=C(C(F)(F)F)C(C(O)=O)=CN=2)CC1)C.Cl.Cl.C[O:35][C:36](=[O:54])[C:37]1[C:42]([C:43]([F:46])([F:45])[F:44])=[CH:41][C:40]([NH:47][CH:48]2[CH2:53][CH2:52][NH:51][CH2:50][CH2:49]2)=[N:39][CH:38]=1.[CH2:55]([O:59][C:60]1[CH:61]=[C:62]([CH:65]=[CH:66][C:67]=1[O:68][CH3:69])[CH:63]=O)[CH:56]([CH3:58])[CH3:57]>>[CH2:55]([O:59][C:60]1[CH:61]=[C:62]([CH:65]=[CH:66][C:67]=1[O:68][CH3:69])[CH2:63][N:51]1[CH2:50][CH2:49][CH:48]([NH:47][C:40]2[CH:41]=[C:42]([C:43]([F:44])([F:45])[F:46])[C:37]([C:36]([OH:35])=[O:54])=[CH:38][N:39]=2)[CH2:53][CH2:52]1)[CH:56]([CH3:57])[CH3:58]