HRID711123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID445858

(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid

C10H10O4

结构：N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

HCID4369359

Sitagliptin

C16H15F6N5O

PRODUCTS

生成物

结构：COc1cc(/C=C/C(=O)[O-])ccc1O.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

HCID178490572

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

Sitagliptin free base (2.0 gms) and ferulic acid (0.95 gms) were dissolved in methanol (12 ml) at 60° C. to 65° C. and the resultant solution was cooled to room temperature. Isopropyl ether (120 ml) was added to the clear solution and stirred for 12 hours. Filtered the precipitated solids and dried at 70° C. to 75° C. for 12 hours to obtain the title compound.

WORKUP

后处理

filtrationFiltered the precipitated solids
customdried at 70° C. to 75° C. for 12 hours

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-373c22d4c44c40688e50febeea3ff640
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09181256B2
来源说明: uspto-grants-2015_11

反应 SMILES

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