HRID983304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85082

L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-

C8H15NO4

HCID145424

3,5-Difluorophenylacetic acid

C8H6F2O2

HCID11459563

tert-Butyl phenylalaninate hydrochloride

C13H20ClNO2

结构：C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C.Cl

HCID69622800

未命名化合物

PRODUCTS

生成物

结构：C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

HCID22894895

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21584188

Chloroform methanol

C2H5Cl3O

PROCEDURE

实验过程

Following General Procedure C and using 3,5-difluorophenylacetic acid (Oakwood) and N-(L-alaninyl)-L-phenylalanine tert-butyl ester hydrochloride (prepared from N-BOC-L-alanine (Sigma) and L-phenylalanine tert-butyl ester hydrochloride (Advanced Chemtech) using General Procedure C, followed by removal of the BOC-group using General Procedure P), the title compound was prepared as a gel. The reaction was monitored by tlc (Rf=0.5 in 4% MeOH/CHCl3) and the product was purified by silica gel chromatography using 4% MeOH/CHCl3 as the eluent.

WORKUP

后处理

customfollowed by removal of the BOC-group
customwas prepared as a gel
customthe product was purified by silica gel chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13a944e8199d4c77aa86acf3f5985a12
来源数据集: uspto-grants-2005_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06861558B2
来源说明: uspto-grants-2005_03

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([OH:12])=O)[CH:5]=[C:6]([F:8])[CH:7]=1.Cl.[C:14]([O:18][C:19](=[O:34])[C@H:20]([CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[NH:21][C:22](=[O:26])[C@H:23]([CH3:25])[NH2:24])([CH3:17])([CH3:16])[CH3:15].C(N[C@H](C(O)=O)C)(OC(C)(C)C)=O.Cl.C(OC(=O)[C@H](CC1C=CC=CC=1)N)(C)(C)C>CO.C(Cl)(Cl)Cl>[C:14]([O:18][C:19](=[O:34])[C@H:20]([CH2:27][C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1)[NH:21][C:22](=[O:26])[C@H:23]([CH3:25])[NH:24][C:10](=[O:12])[CH2:9][C:4]1[CH:5]=[C:6]([F:8])[CH:7]=[C:2]([F:1])[CH:3]=1)([CH3:15])([CH3:16])[CH3:17]