3-乙基-2,3-二甲基-3H-吲哚 | 1798-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 3-乙基-2,3-二甲基-3H-吲哚
• 英文名称: 2,3-dimethyl-3-ethyl-3H-indole
• 英文别名: 3-ethyl-2,3-dimethyl-3H-indole；5-ethyl-2,3-dimethyl-3H-indole；3-ethyl-2,3-dimethyl-3H-indole；3-Aethyl-2,3-dimethyl-3H-indol；3-Aethyl-2,3-dimethyl-indolenin；2,3-Dimethyl-3-ethyl-indolenin；3-ethyl-2,3-dimethylindole
• CAS: 1798-39-6
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: LVCJOTSREMDVNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-乙基-2,3-二甲基-3H-吲哚 在 氢氧化钾 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 3.0h， 生成 (3RS,2'SR)-(E)-3-ethyl-2,3-dihydro-1,3-dimethyl-2-[(3-nitro-2-phenyl)propylidene]-1H-indole
  参考文献：
  名称：

  On the reactivity of some 2-methyleneindolines with β-nitroenamines, α-nitroalkenes, and 1,2-diaza-1,3-butadienes

  摘要：

  A study of the behaviour of some electron-rich 2-methyleneindolines (1-3) with different electron-poor reagents (formation of new carbon-carbon and nitrogen-carbon bonds) has furnished interesting results from both synthetic and the mechanistic viewpoints. Enamines 1-3 have been reacted with the beta-nitroenamines 4-7 (reaction CeCl3 center dot 7H(2)O promoted), giving the polymethine dyes 14-23. The same bases 1-3 have been nitroalkylated with the nitroolefins 8-10, furnishing the indolines 24-32, and the diastereoselectivity of the reaction has been thoroughly investigated. The most unexpected results derived from the first example of reaction of Fischer's bases with 1,2-diaza-1,3-butadienes. In fact, with 11-13, the 'unknown' indoline spirodihydropyrroles 33-40 were formed. Their structures were unambiguously assigned, and we determined, as an example, that of 33 by X-ray analysis. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.027
• 作为产物：
  描述：

  3-anilino-3-methyl-pentan-2-one 在 aniline hydrochloride 、 苯胺 作用下， 生成 3-乙基-2,3-二甲基-3H-吲哚
  参考文献：
  名称：

  Garry, Annales de Chimie (Cachan, France), 1942, vol. <11>17, p. 5,15

  摘要：

  DOI：

文献信息

• Ring transformations of heterocyclic compounds.<b>XXII</b>. Pyrido[1,2-<i>a</i>]indolium salts from 2-methyl-3<i>H</i>-indoles by pyrylium mediated three carbon annelation
  作者：Thomas Zimmermann、Lothar Hennig

  DOI：10.1002/jhet.5570390203

  日期：2002.3

  The synthesis of pyrido[1,2-a]indolium perchlorates 8,11 from 2,4,6-triarylpyrylium perchlorates 1 and 2-methyl-3H-indoles 6,9 in the presence of a basic condensing agent (anhydrous sodium acetate, piperidine acetate, triethylamine/acetic acid, triethylamine) in ethanol by a 2,4-[C3+C2N] pyrylium ring transformation is reported. Spectroscopic data of the transformation products and their mode of formation

  吡啶并合成[1,2一]吲哚鎓高氯酸盐-8,11-从2,4,6-三芳基高氯酸盐1和2-甲基-3- ħ -indoles 6,9在碱性缩合剂的存在下（无水醋酸钠报道了乙醇中乙酸哌啶，三乙胺/乙酸，三乙胺通过2，4- [C 3 + C 2 N]吡啶鎓环的转化。讨论了转化产物的光谱数据及其形成方式。
• HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY
  申请人：Jones Gary W.

  公开号：US20130231604A1

  公开（公告）日：2013-09-05

  Halo-organic heterocyclic compounds are described, in which at least two halogen atoms are bound to a nitrogen-containing heterocyclic terminal moiety of the compound, with at least one of such halogen atoms being iodine or bromine. Also described are polymethine dyes based on these heterocyclic compounds, and dendrimeric compounds and conjugates of such polymethine dyes. The polymethine dyes are characterized by enhanced properties, e.g., brightness, photostability, sensitivity and/or selective affinity that make them useful to target cancer cells, pathogenic microorganisms, and/or other biological materials, in applications such as photodynamic therapy, photodynamic antimicrobial chemotherapy (PACT), cancer treatment, selective removal or attachment of biological materials, antimicrobial coating materials, and other diagnostic, theranostic, spectrum shifting, deposition/growth, and analytic applications.

  描述了卤素有机杂环化合物，其中至少有两个卤素原子与化合物的含氮杂环末端基团结合，其中至少一个卤素原子为碘或溴。还描述了基于这些杂环化合物的聚甲烯染料，以及这些聚甲烯染料的树枝状化合物和共轭物。这些聚甲烯染料具有增强的性能，例如亮度、光稳定性、灵敏度和/或选择性亲和力，使它们在靶向癌细胞、病原微生物和/或其他生物材料的应用中具有用途，例如光动力疗法、光动力抗微生物化疗（PACT）、癌症治疗、选择性去除或附着生物材料、抗微生物涂层材料以及其他诊断、治疗学、光谱转移、沉积/生长和分析应用。
• [EN] HIGH-CAPACITY OPTICAL STORAGE MEDIA<br/>[FR] SUPPORTS DE MÉMOIRE OPTIQUE À GRANDE CAPACITÉ
  申请人：CIBA SC HOLDING AG

  公开号：WO2006018352A1

  公开（公告）日：2006-02-23

  The invention accordingly relates to an optical recording medium comprising a substrate, a reflecting layer and a recording layer, wherein the recording layer comprises a compound of formula (I) or a mesomeric or tautomeric form thereof, wherein M1 is a metal cation in the oxidation state +3, a hydroxy or halogeno metal group wherein the metal is in the oxidation state +4, or an oxo metal group wherein the metal is in the oxidation state +5; (III) and (IV) are each independently of the other (V), (VI) or (VII); (VIII) is (IX), (X), (XI), (XII), (XIII) or (XIV); (XV) is (XVI) or C2-C8 heteroaryl unsubstituted or mono- or poly-substituted by R10, R11, R12 and/or R13; Q1 is N or CR18 , Q2 is N or CR19 , Q3, Q5 and Q7 are each independently of the other CR 20 R 21, O, S or NR22 , Q4 is CR16 or N and Q6 is CR 17 or N ; and R2 and/or R 6 are O, S or NR 33. Please see the disclosure for the other substituents which are less relevant. The compounds of formula (I) are novel and also claimed, as well as the compound of formula (II), or a mesomer or tautomer thereof, wherein R38 is halogen, CF3, NO2, CN, COR22, COOR23 , SO3R23, NCO or SCN, G1, G 2, M1, R1, R2, R4, R5, R6, R8, R22 and R23 are as defined in formula (I), M 2m+ is a cation with m positive charges, and m is an integer 1, 2 or 3. The optical recording media are remarkably suitable for DVD±R (658 nm), especially at high recording speeds.

  该发明涉及一种光学记录介质，包括基板、反射层和记录层，其中所述记录层包括式(I)的化合物或其互变异构体或互变构异体，其中M1是+3氧化态的金属阳离子，氢氧基或卤金属基，其中金属处于+4氧化态，或氧金属基，其中金属处于+5氧化态；(III)和(IV)各自独立于其他(V)、(VI)或(VII)；(VIII)是(IX)、(X)、(XI)、(XII)、(XIII)或(XIV)；(XV)是( XVI)或未经R10、R11、R12和/或R13取代的C2-C8杂环芳基；Q1是N或CR18，Q2是N或CR19，Q3、Q5和Q7各自独立于其他CR20R21、O、S或NR22，Q4是CR16或N，Q6是CR17或N；而R2和/或R6是O、S或NR33。请参阅其他不太相关的取代基的披露。式(I)的化合物是新颖的，并且也被要求，以及式(II)的化合物，或其互变异构体或互变构异体，其中R38是卤素、CF3、NO2、CN、COR22、COOR23、SO3R23、NCO或SCN，G1、G2、M1、R1、R2、R4、R5、R6、R8、R22和R23如式(I)中定义，M2m+是具有m正电荷的阳离子，m是整数1、2或3。这些光学记录介质非常适用于DVD±R（658纳米），尤其在高速记录时。
• Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3′-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities
  作者：Guodong Zhu、Siyuan Liu、Shiqi Wu、Lianghong Peng、Jingping Qu、Baomin Wang

  DOI：10.1021/acs.joc.7b00316

  日期：2017.4.21

  A novel one-pot 1,3-dipolar cycloaddition of indolenines, 3-aminooxindoles, and aldehydes is reported. The reaction provides indolenine-substituted spiro[pyrrolidin-2,3′-oxindoles] containing four contiguous stereogenic centers in high yields (up to 99%) and excellent diastereoselectivities (up to >20:1 dr) under mild conditions. Remarkably, the inversion of diastereoselectivity could be readily achieved

  报道了吲哚，3-氨基羟吲哚和醛的新型一锅式1，3-偶极环加成反应。该反应在温和条件下提供了高产率（最高达99％）和四个非对映选择性（最高达> 20：1 dr）的吲哚烯基取代的螺[吡咯烷-2,3'-羟吲哚]，其中包含四个连续的立体异构中心。值得注意的是，通过稍微改变反应条件可以容易地实现非对映选择性的转化。
• Eine einfache Synthese von 3<i>H</i>-Indolen ausgehend von acetylenischen Alkoholen
  作者：Harald Laas、Axel Nissen、Axel Nürrenbach

  DOI：10.1055/s-1981-29655

  日期：——