HRID16319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

$结构：COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cc(C)[n+](COP(=O)(O)O)c1.O=C([O-])C(F)(F)F$

HCID178488611

未命名化合物

PRODUCTS

生成物

$结构：COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cc(C)[n+](COP(=O)([O-])O)c1$

HCID178488610

未命名化合物

收率 90.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

An aqueous solution (4 mL) of 3-{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate (150 mg) obtained in Example 1 was subjected to reversed phase C18 silica gel column chromatography (developing solvent: 100% water to 35% acetonitrile aqueous solution). The objective fraction was concentrated and then lyophilized to give 112 mg of the title compound. The physical property values of this compound were as follows:

WORKUP

后处理

concentrationThe objective fraction was concentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1cc8d30f710438b9712a92d8637d99f
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07737141B2
来源说明: uspto-grants-2010_06

反应 SMILES

FC(F)(F)C([O-])=O.[F:8][C:9]1[CH:14]=[CH:13][C:12]([C@@H:15]([N:17]2[CH2:22][CH2:21][CH2:20]/[C:19](=[CH:23]\[C:24]3[CH:29]=[CH:28][C:27]([N:30]4[CH:34]=[C:33]([CH3:35])[N+:32]([CH2:36][O:37][P:38]([OH:41])([OH:40])=[O:39])=[CH:31]4)=[C:26]([O:42][CH3:43])[CH:25]=3)/[C:18]2=[O:44])[CH3:16])=[CH:11][CH:10]=1.O>C(#N)C>[P:38]([O-:40])([O:37][CH2:36][N+:32]1[C:33]([CH3:35])=[CH:34][N:30]([C:27]2[CH:28]=[CH:29][C:24](/[CH:23]=[C:19]3/[C:18](=[O:44])[N:17]([C@H:15]([C:12]4[CH:11]=[CH:10][C:9]([F:8])=[CH:14][CH:13]=4)[CH3:16])[CH2:22][CH2:21][CH2:20]/3)=[CH:25][C:26]=2[O:42][CH3:43])[CH:31]=1)([OH:41])=[O:39]