HRID1908708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8900

Heptane

C7H16

结构：Cc1c(CCCC(=O)O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)c(F)c(F)c(F)c4F)cc3)c2n1CCCC(=O)O

HCID46830960

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CCCC(=O)O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(=O)O

HCID46830963

未命名化合物

收率 80.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

CONDITIONS

反应条件

温度: 0 °C

PROCEDURE

实验过程

The compound (50 mg) prepared in Example 10 (2) was dissolved in ethyl acetate (1.4 mL) at 70° C. To the solution, n-heptane (0.68 mL) was added at room temperature, which was then cooled to 0° C. The crystal was filtered and dried under reduced pressure to obtain the title compound (39 mg).

WORKUP

后处理

filtrationThe crystal was filtered
customdried under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff80d9ce76b64020b5aa9a59a2679f0d
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08598223B2
来源说明: uspto-grants-2013_12

反应 SMILES

[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]3[C:29]([F:30])=[C:28](F)[C:27]([F:32])=[C:26]([F:33])[C:25]=3[F:34])=[CH:15][CH:14]=2)=[C:7]2[C:3]=1[C:4]([CH2:42][CH2:43][CH2:44][C:45]([OH:47])=[O:46])=[C:5]([CH3:41])[N:6]2[CH2:35][CH2:36][CH2:37][C:38]([OH:40])=[O:39].CCCCCCC>C(OCC)(=O)C>[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]3[C:29]([F:30])=[CH:28][C:27]([F:32])=[C:26]([F:33])[C:25]=3[F:34])=[CH:15][CH:14]=2)=[C:7]2[C:3]=1[C:4]([CH2:42][CH2:43][CH2:44][C:45]([OH:47])=[O:46])=[C:5]([CH3:41])[N:6]2[CH2:35][CH2:36][CH2:37][C:38]([OH:40])=[O:39]