HRID417130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4278

N,N,N′,N′-Tetramethylazodicarboxamide

C6H12N4O2

HCID13831

Tributylphosphine

C12H27P

HCID59723885

未命名化合物

结构：Fc1cc2nc(-c3ccc(Cl)cc3)n(C(COCC3CCCCC3)C3CCCCC3)c2cc1F

HCID66619202

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOC(=O)C1(Oc2ccc(OCC(C3CCCCC3)n3c(-c4ccc(Cl)cc4)nc4cc(F)c(F)cc43)cc2)CCC1

HCID66619404

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to Example 4, intermediate, from 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol (Example 1, intermediate c), 1-(4-hydroxy-phenoxy)-cyclobutanecarboxylic acid ethyl ester (CAS RN: 879094-83-4), tri-n-butylphosphin and N,N,N′,N′-tetramethylazodicarboxamide. The compound was purified by silica gel chromatography using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of n-heptane:ethyl acetate (100:0 to 70:30). Light yellow foam (45%). MS (Turbo Spray): m/z=609.3 [M+H].

WORKUP

后处理

customThe compound was purified by silica gel chromatography
washeluting with a gradient of n-heptane:ethyl acetate (100:0 to 70:30)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60f2548602444f0c9569461269301303
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08088930B2
来源说明: uspto-grants-2012_01

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH:13]([CH:23]3[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]3)[CH2:14][O:15]CC3CCCCC3)[C:11]3[CH:29]=[C:30]([F:34])[C:31]([F:33])=[CH:32][C:10]=3[N:9]=2)=[CH:4][CH:3]=1.[CH2:35]([O:37][C:38]([C:40]1([O:44][C:45]2[CH:50]=[CH:49][C:48](O)=[CH:47][CH:46]=2)[CH2:43][CH2:42][CH2:41]1)=[O:39])[CH3:36].C(P(CCCC)CCCC)CCC.CN(C)C(N=NC(N(C)C)=O)=O>>[CH2:35]([O:37][C:38]([C:40]1([O:44][C:45]2[CH:50]=[CH:49][C:48]([O:15][CH2:14][CH:13]([N:12]3[C:11]4[CH:29]=[C:30]([F:34])[C:31]([F:33])=[CH:32][C:10]=4[N:9]=[C:8]3[C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=3)[CH:23]3[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]3)=[CH:47][CH:46]=2)[CH2:43][CH2:42][CH2:41]1)=[O:39])[CH3:36]