吲哚钠盐 | 16982-67-5

• 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: 吲哚钠盐
• 英文名称: sodium salt of indole
• 英文别名: sodium indol-1-ide；indole sodium salt；1-sodioindole；sodium;indol-1-ide
• CAS: 16982-67-5
• 化学式: C₈H₆N*Na
• 分子量: 139.132
• InChiKey: VSYCUXURPINEGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  吲哚钠盐 在 甲醇 、 sodium methylate 作用下， 以 四氢呋喃 为溶剂， 生成 1-羟甲基-1H-吲哚
  参考文献：
  名称：

  NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS

  摘要：

  该发明涉及使用至少一种具有以下式（I）的化合物，其中R和R3特别是氢原子，R1特别是氢原子或甲基、乙基或异丁基mi基团，R4、R5、R6和R7独立地是氢原子、具有1至7个碳原子的烷氧基团或卤原子，R2是氢原子、O−基团或OH基团，B是N-GP1或NRc基团，GP1是Boc或Cbz基团，Rc是氢原子或甲基或叔丁基基团，用于制备用于治疗与细菌感染相关的疾病症状的药物，特别是用于治疗细菌性疾病。

  公开号：

  US20100144726A1
• 作为产物：
  描述：

  吲哚 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 吲哚钠盐
  参考文献：
  名称：

  具有有效抗菌活性的吲哚核基衍生物的合成与生物学评价

  摘要：

  摘要 制备了二苯磺酰基二乙胺，用作引入烷基化剂的原料。在钠和无水乙醇的存在下，二苯磺酰基二乙胺与吲哚的反应得到了七种出乎意料的产物，其中五种通过快速色谱分离。产品5的结构是根据元素分析和光谱数据[IR，1 H-NMR，13 C-NMR，极化转移无畸变增强（DEPT），1 H- 1 H相关光谱（COSY）NMR，1小时/ 13C异核多量子相干（HMQC）NMR和质谱（CI / Ms和EI / Ms）]。化合物 5 的抗菌活性 与氨苄青霉素非常相容。 图形概要

  DOI：

  10.1007/s11164-018-3426-9

文献信息

• Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition
  申请人：——

  公开号：US20040067998A1

  公开（公告）日：2004-04-08

  The present invention relates to novel indole derivatives, their method of preparation and their pharmacological activity as antimycotic and/or antiparasitic compounds.

  这项发明涉及新型吲哚衍生物，它们的制备方法以及它们作为抗真菌和/或抗寄生虫化合物的药理活性。
• Synthesis of potassium 4-(1-azol-1-yl)-2,3,5,6-tetrafluorophenyltrifluoroborates from K[C6F5BF3] and alkali metal azol-1-ides. The dramatic distinction in nucleophilicity of alkali metal azol-1-ides and dialkylamides
  作者：Anton Yu. Shabalin、Nicolay Yu. Adonin、Vadim V. Bardin、Oksana P. Taran、Artemiy B. Ayusheev、Valentin N. Parmon

  DOI：10.1016/j.jfluchem.2013.07.011

  日期：2013.12

  Nucleophilic substitution of fluorine atom in K[C6F5BF3] with alkali metal azol-1-ides in polar aprotic solvent (DMF, DMSO) at 60–130 °C gives potassium 4-(azol-1-yl)-2,3,5,6-tetrafluorophenyltrifluoroborates, K[4-AzC6F4BF3] (AzH = pyrrole, pyrazole, imidazole, indole, and benzimidazole). Unexpectedly, diethylamine and morpholine do not react with K[C6F5BF3] under the same conditions while pentafluorobenzene

  在60-130°C的极性非质子溶剂（DMF，DMSO）中，用碱金属氮杂-1-酸将K [C 6 F 5 BF 3 ]中的氟原子亲核取代，得到4-（氮杂-1-基）-钾2,3,5,6-四氟苯基三氟硼酸酯，K [4-AzC 6 F 4 BF 3 ]（AzH =吡咯，吡唑，咪唑，吲哚和苯并咪唑）。出乎意料的是，二乙胺和吗啉在相同条件下不会与K [C 6 F 5 BF 3 ]反应，而五氟苯和R 2 NC 6 F 4 H在150°C时形成。K [C 6 F 5 BF 3的反应用二甘醇二甲醚或DMSO中的Na [NR 2 ]进行类似的过程。推测的原因是仲胺和碱金属二烷基酰胺的亲核性都较低，这会导致与K [C 6 F 5 BF 3 ]的破坏性副反应，而不是其氨基脱氟。模型底物C 6 F 5 Ph与吲哚钠/吗啉化钠的竞争性亲核氨基脱氟作用证实了这一点。
• The stereochemistry and mechanism of the ring opening reaction of 3-aryltetrazolopyridinium salts and their v-triazolo analogues
  作者：A. Gelléri、A. Messmer、S. Nagy、L. Radics

  DOI：10.1016/s0040-4039(01)85587-8

  日期：1980.1

  Contrary to earlier reports, the title reaction was found to yield both 1E and 1Z configured dienic products predicted for a disrotatory process. A novel degradation giving, via the loss of one carbon unit, tetrazolyl- and triazolyl-acrolein was also observed.

  与先前的报道相反，发现该标题反应可产生预测为旋转过程的1E和1Z构型二烯产物。还观察到一种新的降解，通过一个碳原子的损失，得到了四唑基和三唑基丙烯醛。
• Indolic derivatives, their preparation processes and their uses in particular as antibacterials
  申请人：Universite Joseph Fourier

  公开号：US08343964B2

  公开（公告）日：2013-01-01

  The invention relates to the use of at least one compound of the formula (I), in which R and R3 are particularly a hydrogen atom, R1 is particularly a hydrogen atom or a methyl, ethyl or isobutyl mi group, R4, R5, R6 and R7 are independently a hydrogen atony, an alkoxyl group with 1 to 7 carbon atoms or a halogen atom, R2 is a hydrogen atom, an O− group or an OH group, B is an N-GP1 or NRc, group, GP1 being a Boc or Cbz group, and Rc is a hydrogen atom or a methyl or t-butyl group, for preparing a drug for treating conditions associated with bacterial infections, in particular for treating bacterial diseases.

  本发明涉及使用式(I)中至少一种化合物，其中R和R3特别是氢原子，R1特别是氢原子或甲基、乙基或异丁基mi基团，R4、R5、R6和R7独立地是氢原子、具有1至7个碳原子的烷氧基团或卤素原子，R2是氢原子、O−基团或OH基团，B是N-GP1或NRc基团，其中GP1是Boc或Cbz基团，而Rc是氢原子或甲基或叔丁基基团，用于制备治疗细菌感染相关疾病的药物，特别用于治疗细菌性疾病。
• Studies on the Monoamine Oxidase-B-Catalyzed Biotransformation of 4-Azaaryl-1-methyl-1,2,3,6-tetrahydropyridine Derivatives
  作者：Sandeep K. Nimkar、Stéphane Mabic、Andrea H. Anderson、Sonya L. Palmer、Thomas H. Graham、Milly de Jonge、Lisa Hazelwood、Sean J. Hislop、Neal Castagnoli

  DOI：10.1021/jm9900319

  日期：1999.5.1

  The substrate properties of a series of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridinyl (MPTP) analogues in which the C-4 phenyl group has been replaced with various 4-azaaryl moieties have been examined in an effort to evaluate the contribution of electronic, polar, and steric parameters to the MAO-B-catalyzed oxidation of this type of cyclic tertiary allylamine to the corresponding dihydropyridinium metabolite. No significant correlation could be found nit-h the calculated energy of the C-H bond undergoing cleavage. A general trend, however, was observed between the magnitude of the log P value with the magnitude of k(cat)/K-m. The results indicate that the placement of a polar nitrogen atom in the space occupied by the phenyl group of MPTP leads to a dramatic decrease in substrate properties. Enhanced substrate properties, however, were observed when benzoazaarenes replaced the corresponding five-membered azaarenes. These results are consistent with our previously published molecular model of the active site of MAO-B.