HRID133082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID7146288

(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid

C15H18F3NO4

结构：CN(C)C(=O)CC1NCCn2nc(C(F)(F)F)nc21.Cl

HCID131726938

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)CC1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

HCID131726939

未命名化合物

PROCEDURE

实验过程

A 200 mg portion of 8-[2-(dimethylamino)-2-oxoethyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-α]pyrazine, hydrochloride was coupled to (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid essentially following the procedure outlined in Example 2, Step D. Purification by preparative TLC (silica gel, 10% methanol/dichloromethane) followed by HPLC (AD chiral pak column, 15% isopropanol/heptane) separated the first and last eluting diastereomers. LC/MS 593 (M+1).

WORKUP

后处理

customPurification by preparative TLC (silica gel, 10% methanol/dichloromethane)
customseparated the first and
washlast eluting diastereomers

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-257bbce83d9b49d2a05dc66f127914b4
来源数据集: uspto-grants-2008_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07390809B2
来源说明: uspto-grants-2008_06

反应 SMILES

Cl.[CH3:2][N:3]([CH3:20])[C:4](=[O:19])[CH2:5][CH:6]1[NH:11][CH2:10][CH2:9][N:8]2[N:12]=[C:13]([C:15]([F:18])([F:17])[F:16])[N:14]=[C:7]12.[C:21]([O:25][C:26]([NH:28][C@H:29]([CH2:34][C:35]1[CH:40]=[C:39]([F:41])[C:38]([F:42])=[CH:37][C:36]=1[F:43])[CH2:30][C:31](O)=[O:32])=[O:27])([CH3:24])([CH3:23])[CH3:22]>>[C:21]([O:25][C:26]([NH:28][C@H:29]([CH2:34][C:35]1[CH:40]=[C:39]([F:41])[C:38]([F:42])=[CH:37][C:36]=1[F:43])[CH2:30][C:31]([N:11]1[CH2:10][CH2:9][N:8]2[N:12]=[C:13]([C:15]([F:17])([F:16])[F:18])[N:14]=[C:7]2[CH:6]1[CH2:5][C:4]([N:3]([CH3:2])[CH3:20])=[O:19])=[O:32])=[O:27])([CH3:24])([CH3:22])[CH3:23]