CAS: 101125-34-2; 3-(4-Fluorophenyl)-1-Isopropyl-1H-Indole-2-Carbaldehyde

该化合物是一种化学化合物,其特性是其无极结构,即由苯环组成,并引信成火花圈的双循环化合物;一个四氟联苯组的存在表明,氟原子被替换在苯环的副位置上,这可能影响该化合物的电子特性和再活性;与无丁氮相连的异丙基体组有助于该化合物的形成,有可能影响其生物活动和相互作用;无丁联苯的双向功能组(CHO)为进一步的化学修改提供了再活动,并能够参与各种反应,如凝聚和氧化;该化合物由于其结构特征,可能对医药化学和药物开发具有兴趣,这可能会带来特定的药用特性;总体而言,其独特的功能组和结构特征组合使其成为各种化学研究领域感兴趣的主题.

英文名称3-(4-Fluorophenyl)-1-Isopropyl-1H-Indole-2-Carbaldehyde
中文名称3-(4-氟苯基)-1-异丙基-1H-吲哚-2-苯甲醛
IUPAC名称3-(4-fluorophenyl)-1-isopropyl-1H-indole-2-carbaldehyde
其它别名3-(4-Fluoro-Phenyl)-1-Isopropyl-1H-Indole-2-Carbaldehyde; 2-Formyl-3-(4-Fluorophenyl)-1-N-Isopropyl Indole; 1H-Indole-2-Carboxaldehyde, 3-(4-Fluorophenyl)-1-(1-Methylethyl)-; Fluvastatin Ep Imp G; Fluvastatin Impurity G; 3-(4-Fluorophenyl)-1-(Propan-2-yl)-1H-Indole-2-Carbaldehyde; 1-Isopropyl-3-(4-Fluorophenyl)Indole-2-Carboxaldehyde; 3-(4-Fluorophenyl)-1-Isopropylindole-2-Carbaldehyde
CAS编号101125-34-2
MFCD编号:MFCD03839850
FDA UNII编号:YV0ZQ7788C
分子式:C18H16FNO
分子量:281.33
产品CID: 23346
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: NPWWALYZZIFFPB-UHFFFAOYSA-N
InChI=1S/C18H16FNO/c1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13/h3-12H,1-2H3…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数3.0

物理性质

熔点90-91°C (isopropanol )
沸点450.0±40.0 °C(预测)
闪点225.9 °C
密度1.14±0.1 g/cm3(预测)
PSA:22.0
LogP:4.8408
折射率1.582
蒸汽压2.74E-08 mmHg at 25 °C
溶解性Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外观形态类白色至淡黄色固体
储存条件在惰性气体(氮气或氩气)下 2-8°C

上下游产品

Dichloromethyl methyl ether 3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole N,N-dimethyl-formamide N-Isopropylaniline 3,5-bis-ethoxycarbonyloxy-5-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-pent-2-enoic acid methyl ester (E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-N-methoxy-N-methylacrylamide 5-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxypent-2-enoic acid methyl ester (E)-7-[3-(4-fluorophenyl)-1-isopropyl-2-indolyl]-3-tert-butyldimethylsilanyloxy-5-oxo-6-heptenoic acid methyl ester

合成工艺路线路线简述

合成目标产物 3-(4-Fluoro-Phenyl)-1-Isopropyl-1H-Indole-2-Carbaldehyde 主要起始原料 N-Isopropylaniline
(文献来源)合成步骤主要原料 N-Isopropylaniline

N-异丙基苯胺置于四氯化锡,Zinc(II) Chloride体系中,用乙醇,二氯甲烷,N,N-二甲基甲酰胺用作溶剂,化学反应 19.5H,反应生成3-(4-氟苯基)-1-异丙基-1H-吲哚-2-苯甲醛
参考文献:2-Formylation Of 3-Arylindoles
标题:2-Formylation Of 3-Arylindoles
摘要:
Doi:10.1016/s0040-4039(00)98949-4

专利信息

专利号:US-9932361-B2
优先权日:2013-02-20
标题:Convenient process for the preparation of statins
发明人：DE LUCCHI OTTORINO; TARTAGGIA STEFANO; FERRARI CLARK; GALVAGNI MARCO; PONTINI MARTA; FOGAL STEFANO; MOTTERLE RICCARDO; MORENO ROSA MARIA; COMELY ALEX
权利人:F I S â€”FABBRICA ITALIANA SINTETICI S P A
摘要:Object of the present invention is an improved process for the preparation of key intermediates for the synthesis of statins.

专利号:WO-2006021326-A1
优先权日:2004-08-27
标题:Process and intermediates for the selective synthesis of fluvastatin
发明人：ZHU GUORONG; GONG HONGQUAN; BECKER STEFAN
权利人:ZHEJIANG HISUN PHARMACEUTICAL; TIEFENBACHER PHARMACHEMIKALIEN; ZHU GUORONG; GONG HONGQUAN; BECKER STEFAN
摘要:The invention relates to process for the selective preparation of 3-hydroxy-6-dialkoxyphosphoryl-5-oxo-hexanoic acid esters, comprising a first step, in which a methylphosphonic acid dialkylester is treated with a base, and a second step, in which the product of the primary reaction is reacted with an optionally 3-protected 3-hydroxy-1,5-pentanoic diacid ester.

专利号:US-8987478-B2
优先权日:2011-12-09
标题:Process for the preparation of a statin precursor
发明人：DE LANGE BEN; HEEMSKERK DENNIS; BESSEMBINDER KARIN HENDERIKA MARIA
权利人:DSM SINOCHEM PHARM NL BV
摘要:The present invention relates to a process for the preparation of a precursor for the synthesis of hexanoic acid derived statins and to the use of said precursor in the manufacture of a medicament.

专利号:US-9260423-B2
优先权日:2011-12-09
标题:Process for the preparation of a thioprecursor for statins
发明人：DE LANGE BEN; HEEMSKERK DENNIS; BESSEMBINDER KARIN HENDERIKA MARIA
权利人:DSM SINOCHEM PHARM NL BV
摘要:The present invention relates to a process for the preparation of a precursor for the synthesis of hexanoic acid derived statins and to the use of said precursor in the manufacture of a medicament.

专利号:EP-1634870-A1
优先权日:2004-08-27
标题 :Process and intermediates for the selective synthesis of Fluvastatin

专利号:EP-2769979-A1
优先权日:2013-02-20
标题 :Process for the preparation of key intermediates for the synthesis of Statins