HRID711132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID637542

(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid

C9H8O3

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：N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O=C([O-])/C=C/c1ccc(O)cc1

HCID178511829

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 (0.5 gms) and coumaric acid (0.20 gms) were dissolved in methanol (3 ml) at 60° C. to 65° C. and the resultant solution was cooled to room temperature. Isopropyl ether (60 ml) was added to the resultant clear solution and stirred for 2 hours. Precipitated solids were filtered and suck dried for 20 minutes to obtain the title compound. Yield: 0.38 gms.

WORKUP

后处理

customPrecipitated solids
filtrationwere filtered
customsuck dried for 20 minutes

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e530492328c4223abc317b527971d30
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].[CH:29]1[C:34](/[CH:35]=[CH:36]/[C:37]([OH:39])=[O:38])=[CH:33][CH:32]=[C:31]([OH:40])[CH:30]=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:37]([O-:39])(=[O:38])/[CH:36]=[CH:35]/[C:34]1[CH:33]=[CH:32][C:31]([OH:40])=[CH:30][CH:29]=1