CAS: 143322-57-0; (R)-5-Bromo-3-[(1-Methyl-2-Pyrrolidinyl)Methyl]-1H-Indole

该化合物是一种化学化合物,其特性是其单极核心,这是一种双环结构,由苯环组成,与一个发酵环相连.在不荷尔的5个位置上存在一个溴原子,会增强其反应性并影响其生物活动.该化合物还具有一个侧链,包括一个含有5个成分的含氮的乙基环.2R-1-甲基-2-丙基氨基组表明气态,表明该分子可能以不同立体异构体形式存在,可能会影响其药用特性.该化合物可能呈现出各种生物活动,使其对医药化学和药物开发感兴趣.其具体的相互作用和行动机制将取决于其结构特征和它所涉及的生物目标.与许多含有含有含氮的衍生物一样,它可能被用于...

⚠️《化妆品禁用原料目录》
英文名称(R)-5-Bromo-3-[(1-Methyl-2-Pyrrolidinyl)Methyl]-1H-Indole
中文名称(R)-5-溴-3-(1-甲基-2-吡咯烷基甲基)-1H-吲哚
IUPAC名称(R)-5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
其它别名1H-Indole, 5-Bromo-3-(((2R)-1-Methyl-2-Pyrrolidinyl)Methyl)-; 6-Bromo-3-[(1-Methylpyrrolidin-2-yl)Methyl]-1H-Indole; 5-Bromo-3-((R)-1-Methyl-Pyrrolidin-2-Ylmethyl)-1H-Indole; Tert-Butyln-(3-Thienyl)Carbamate; (R)-5-Bromo-3-(N-Methylpyr
CAS编号143322-57-0
MFCD编号:MFCD00912970
EINECS号:422-390-5
FDA UNII编号:XR1NS522CP
分子式:C14H17BrN2
分子量:293.21
产品CID: 662602
产品分类医药中间体

相似结构搜索
InChIKey: JCXOJXALBTZEFE-GFCCVEGCSA-N
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m0/s1…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS08 & GHS07 & GHS05 & GHS09;
注释: Health hazard & Exclamation mark & Corrosion & Environment
危险类别生殖毒性类别2
急性毒性类别4(吸入)
急性毒性类别4(经口)
特定目标器官毒性-单次接触类别1
特定目标器官毒性-重复接触类别1
严重眼损伤类别1
皮肤致敏类别1
水生慢性毒性类别1
水生急性毒性类别1
警示词Danger(危险)
危险描述H361 |怀疑对生育能力或胎儿造成损害.
H332 |吸入有害.
H302 |吞咽有害.
H370 |损害器官.
H372 |长期或反复接触损害器官.
H318 |造成严重眼损伤.
H317 |可能引起皮肤过敏反应.
H410 |对水生生物毒性极大并具有长期持续影响.
H400 |对水生生物毒性极大.
防范说明P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
危险品标志T,N
安全声明53-45-60-61
危险类别码20/22-39-41-43-48/25-62-50/53

欧盟法规

统一分类与标签REACH注册ECHA物质工作场所安全标识要求食品接触材料-禁用CMR物质ECHA物质C&L通报化妆品禁用物质清单REACH预注册废弃物危险特性清单

上下游产品

合成工艺路线路线简述

合成目标产物 (R)-5-Bromo-3-((1-Methylpyrrolidin-2-yl)Methyl)-1H-Indole 主要起始原料 1H-Indole, 5-Bromo-3-[[(2R)-1-Methyl-2-Pyrrolidinyl]Methyl]-, Ethanedioate (1:1)
(文献来源)合成步骤主要原料 1H-Indole, 5-Bromo-3-[[(2R)-1-Methyl-2-Pyrrolidinyl]Methyl]-, Ethanedioate (1:1)

(R)-2-(5-溴-1H-吲哚-3-羰基)吡咯烷-1-羧酸苯酯置于红铝,Sodium Hydroxide体系中,用甲苯,水用作溶剂,化学反应生成(R)-5-溴-3-(1-甲基-2-吡咯烷基甲基)-1H-吲哚
参考文献: Process For The Preparation Of 5-Substsituted Indole Derivative[fr] Procédé Pour La Préparation De Dérivé D'Indole Substitué En Position 5
标题: Process For The Preparation Of 5-Substsituted Indole Derivative[fr] Procédé Pour La Préparation De Dérivé D'Indole Substitué En Position 5

海关参考信息

2921199090-其他无环单胺
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-8426612-B2
优先权日:2009-04-22
标题:Synthesis of 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5[2-(phenylsulfonyl)ethyl]-1H-indole
发明人：SERAFINI SIRO; CASTELLIN ANDREA; DAL SANTO CLAUDIO
权利人:SERAFINI SIRO; CASTELLIN ANDREA; DAL SANTO CLAUDIO; ITALIANA SINT SPA
摘要:The present invention refers to the synthesis of 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole, a drug known by the name Eletriptan, or of its salts. In particular, the present invention regards a process for the synthesis of Eletriptan or of its salt, comprising the following steps: a) Salifying the intermediate of Formula (6), using a dicarboxylic acid to obtain a derived salt; b) Optionally, purifying said raw salt obtained according to step a) by solvent crystallization to obtain a purified salt of the intermediate of Formula (6); c) Converting said salt of the intermediate of formula (6) according to step a) or said purified salt according to step b) into an intermediate of formula (10); d) Converting the intermediate of Formula (10) into Eletriptan or its salt.

专利号:WO-2012004811-A8
优先权日:2010-07-06
标题:Process for the preparation of 5-substsituted indole derivative
发明人：BHIRUD SHEKHAR BHASKAR; JOHAR PERMINDER SINGH; SHARMA EKTA; PRAJAPATY RAMKARAN; GUPTA CHANDAN KUMAR
权利人:IND SWIFT LAB LTD; BHIRUD SHEKHAR BHASKAR; JOHAR PERMINDER SINGH; SHARMA EKTA; PRAJAPATY RAMKARAN; GUPTA CHANDAN KUMAR
摘要:The present invention relates to an improved and industrially advantageous process for preparation of eletriptan of formula I, or pharmaceutically acceptable salts thereof from bromo indole intermediate of formula II, through isolation of N-acetylated bromo indole intermediate of formula III, to elude carrying forward of impurities to next stage. The present invention relates to process for the preparation of 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indol of formula II, a key intermediate for the synthesis of eletriptan or pharmaceutically acceptable salts thereof, through novel keto carbamate intermediate. The present invention also relates to novel process for the preparation of Î±-form of eletriptan hydrobromide.

专利号:WO-2010121673-A1
优先权日:2009-04-22
标题 :Synthesis of 3-{[(2r)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1h-indole

专利号:JP-2012524736-A
优先权日:2009-04-22
标题 :Synthesis of 3-{[(2R) -1-methylpyrrolidin-2-yl] methyl} -5- [2- (phenylsulfonyl) ethyl] 1H-indole

专利号:US-2011166364-A1
优先权日:2009-04-22
标题 :Synthesis of 3--5-[2-(phenylsulfonyl)ethyl]-1h-indole

专利号:EP-2421853-B1
优先权日:2009-04-22
标题:Synthesis of 3-{[(2r)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1h-indole