1044598-91-5
1044598-91-5 結構式
基本信息
4-[4-[[2-(4-氯苯基)-5,5-二甲基-1-環(huán)己烯]甲基]-1-哌嗪基]苯甲酸
4-[4-[[2-(4-氯苯基)-5,5-二甲基環(huán)己-1-烯基]甲基]哌嗪-1-基]苯甲酸
4-[4-[[2-(4-Chlorophenyl)-5,5-diMethyl-1-cyclohexenyl]Methyl]-1-
3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
4-(4-((2-(4-Chlorophenyl)-5,5-diMethylcyclohex-1-enyl)Methyl)piperazin-1-yl)benzoic acid
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid
4-(4-{[2-(4-chlorophenyl)-5,5-diMethylcyclohex-1-en-1-yl]Methyl}piperazin-1-yl)benzoic acid
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid
Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-diMethyl-1-cyclohexen-1-yl]Methyl]-1-piperazinyl]-
4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)be
4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzo
物理化學性質
制備方法
![4-[4-[[2-(4-氯苯基)-5,5-二甲基環(huán)己-1-烯基]甲基]哌嗪-1-基]苯甲酸乙酯](/CAS2/GIF/1065604-70-7.gif)
1065604-70-7
1044598-91-5
步驟E：合成3.7：將NaOH（19.70 g，492.48 mmol）溶于H2O（300.00 mL）和MeOH（100.00 mL）的混合溶劑中，隨后加入3.6（57.50 g，123.12 mmol）的THF（600.00 mL）溶液。反應混合物在室溫下攪拌，并在80°C下加熱1小時。反應完成后，減壓濃縮除去過量溶劑，將殘余物倒入冰水（1 L）中。用酸調節(jié)混合物的pH至5-6，此時有白色固體析出。通過過濾收集固體，干燥后得到3.7（50.00 g，113.90 mmol，收率93%）。產物經質譜（ESI）分析顯示m/z = 439 [M + H]+。1H NMR（400 MHz, DMSO-d6）數據如下：δ 10.63（br, 1H）, 7.75（d, 2H, J = 8.8 Hz）, 7.38（d, 2H, J = 8.4 Hz）, 7.12（d, 2H, J = 8.0 Hz, Ph）, 6.91（m, 2H, J = 8.8 Hz）, 3.84（m, 2H）, 3.58（m, 2H）, 3.39（m, 2H）, 2.78（m, 2H）, 2.28（m, 2H）, 2.21（m, 2H）, 1.47（m, 2H）, 1.00（s, 6H）。
參考文獻：
[1] Patent: WO2017/101851, 2017, A1. Location in patent: Paragraph 0140; 0147
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 21, p. 6902 - 6915
[3] Patent: US2009/318689, 2009, A1. Location in patent: Page/Page column 32-33
[4] Patent: WO2017/123616, 2017, A1. Location in patent: Paragraph 00150