CAS: 102308-97-4; 1-Methyl-1H-Indol-5-Amine

该化合物是一个有机化合物,其特点是由诱导苯和火花环组成的单极结构,该化合物的特性是位于环氮原子和5位置的氨基组,有助于其基本性和潜在反应性.该化合物一般在室温下是固体,可能由于氨基氨基组的存在而在极地溶剂中表现出溶解性.该化合物在包括药用化学在内的各个领域都具有意义,因为它具有潜在的生物活动以及作为合成较复杂分子的建筑块的作用.其特性,如熔点,沸点和光谱特性,可以因纯度和环境条件而不同.它与许多阿明斯一样,可能参与氢的结合,影响它与其他分子的相互作用.在处理和储存时,应当参考安全数据,因为如果不妥善管理,可能会对健康造成危害.

英文名称1-Methyl-1H-Indol-5-Amine
中文名称1-甲基-5-氨基吲哚
IUPAC名称1-methyl-1H-indol-5-amine
其它别名1-甲基-1H-吲哚-5-胺; 5氨基1甲基1H吲哚; 5-Amino-N-Methylindole
CAS编号102308-97-4
MFCD编号:MFCD03839873
EINECS号:641-208-7
分子式:C9H10N2
分子量:146.19
产品CID: 51126
产品分类有机原料→分子砌块→芳杂环类化合物→吲哚类化合物

相似结构搜索
InChIKey: PGTSGPCXPIFQEL-UHFFFAOYSA-N
InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

166104-20-7 26807-73-8 29906-67-0

物理性质

熔点102°C
沸点328°C at 760 mmHg
闪点152.2±20.4 °C
密度1.2±0.1 g/cm3
pKa:5.05±0.10(预测)
PSA:30.95
LogP:1.7605
折射率1.620
蒸汽压0.0±0.7 mmHg at 25°C
溶解性Acetonitrile (Slightly), Chloroform (Slightly)
外观形态黑色固体
储存条件在惰性气体(氮气或氩气)下 2–8 °C
产品应用该化合物用于以铜催化方式合成的磺酰胺.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
严重眼刺激类别2A
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级IRRITANT
UN编号2811
危险品标志Xn
安全声明36/37/39-26-22
危险类别码36/37/38-36-22-20/21/22

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

N-(1-甲基吲哚-5-基)邻苯二甲酰亚胺置于乙醇,一水合肼体系中,化学反应生成1-甲基-1H-吲哚-5-胺
参考文献:Terent'Ew; Preobrashenskaja,Zhurnal Obshchei Khimii,1959,Vol. 29,P. 317,322; Engl. Ausg. S. 322,326
标题:Terent'Ew; Preobrashenskaja,Zhurnal Obshchei Khimii,1959,Vol. 29,P. 317,322; Engl. Ausg. S. 322,326

专利信息

专利号:US-2008125587-A1
优先权日:2006-05-25
标题 :Synthesis of triazole compounds that modulate HSP90 activity
发明人：CHIMMANAMADA DINESH U; LEE CHI-WAN; JAMES DAVID; ZHANG SHIJIE; YING WEIWEN; CHAE JUNGHYUN; PRZEWLOKA TERESA
权利人:CHIMMANAMADA DINESH U; LEE CHI-WAN; JAMES DAVID; ZHANG SHIJIE; YING WEIWEN; CHAE JUNGHYUN; PRZEWLOKA TERESA
摘要:The present invention provides novel methods of preparing triazole compounds which inhibit the activity of Hsp90. One embodiment of the invention is directed to methods for preparing a triazole compound represented by the following Structural Formula: n n n n n n n n n n or a tautomer, a pharmaceutically acceptable salt, solvate, or clathrate, or a prodrug thereof, comprising the steps of: a) reacting an amide represented by the following Structural Formula: n n n n n n n n n n with a thionation reagent to form a thioamide; b) reacting the thioamide of step a) with hydrazine to form a hydrazonamide; c) reacting the hydrazonamide of step b) with a carbonylation or a thiocarbonylation reagent. n In one embodiment, the present invention is a method of synthesis of a compound of formula (IA) n n n n n n n n n n or a tautomer, a pharmaceutically acceptable salt, solvate, or clathrate, or a prodrug thereof, comprising reacting a compound of formula (IIA) n n n n n n n n n n with an oxidizing agent, thereby producing a compound of formula (IA). n The present invention is also directed to a method of preparing a compound or a tautomer thereof represented by the following Structural Formula: n n n n n n n n n n or a tautomer, a pharmaceutically acceptable salt, solvate, or clathrate, or a prodrug thereof. The method comprises the step of reacting a first starting compound represented by the following Structural Formula: n n n n n n n n n n in the presence of a mercuric salt, with a second starting compound represented by the following Structural Formula:

专利号:WO-2009075890-A2
优先权日:2007-12-12
标题 :Method for synthesis of triazole compounds that modulate hsp90 activity