HRID711120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

Sitagliptin free base (2.0 gms) and ferulic acid (0.95 gms) were dissolved in acetonitrile (16 ml) at 60° C. to 65° C. and the reaction mass left for slow solvent evaporation at room temperature for 48 hours. Precipitated solids were filtered off and dried at 50° C. to 55° C. for 6 hours to obtain the title compound. Yield: 1.45 gms.

WORKUP

后处理

customPrecipitated solids
filtrationwere filtered off
customdried at 50° C. to 55° C. for 6 hours

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17157ddc94ba414c843b61589241dabb
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(#N)C>[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