3-iodo-N,N-dimethylpropylamine | 66715-60-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-iodo-N,N-dimethylpropylamine
• 英文别名: 3-Iodopropyldimethylamin；3-iodo-N,N-dimethylpropan-1-amine
• CAS: 66715-60-4
• 化学式: C₅H₁₂IN
• 分子量: 213.061
• InChiKey: IWUNSWAWXUHGSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-iodo-N,N-dimethylpropylamine 在 silver(I) nitrite 作用下， 以 水 为溶剂， 以86.2 %的产率得到N,N-dimethyl-3-nitropropane-1-amine
  参考文献：
  名称：

  WO2023/125376

  摘要：

  公开号：
• 作为产物：
  描述：

  N,N-二甲氨基氯丙烷盐酸盐 在 sodium iodide 、 sodium hydroxide 作用下， 以 环己烷 、 水 为溶剂， 反应 3.0h， 以99.8%的产率得到3-iodo-N,N-dimethylpropylamine
  参考文献：
  名称：

  アミノ基を有する有機リチウム化合物およびその中間体の製造方法、並びに有機リチウム化合物を用いた共役ジエン系重合体の製造方法

  摘要：

  【问题】提供具有氨基基团的有机锂化合物的工业上有利的制造方法。 【解决方案】 包括以下步骤的有机锂化合物（8）的制备方法：（a）通过反应盐（1）和碱金属碘化物（2）来获得盐（3）；（b）通过反应盐（3）和碱来获得化合物（4）；（c）通过反应化合物（4）和化合物（5）来获得有机锂化合物（6）；以及（d）通过反应具有烯丙基双键的化合物（7）和有机锂化合物（6）来获得有机锂化合物（8）。 【选择图】无

  公开号：

  JP2018172368A

文献信息

• Fluorescent sensor for α,ω-dicarboxylate anions
  作者：Minghua Mei、Shikang Wu

  DOI：10.1039/b007727p

  日期：——

  The synthesis and photophysical behavior of several naphthylurea derivatives used as chemosensors for detecting anionic species is reported. In particular, compound 3 shows a photoinduced electron transfer (PET) process. The photophysical properties of 3 upon the addition of dicarboxylate anions have been studied. Results show that fluorescence quenching of the naphthyl moiety and appearance of a new emission is induced by the formation of a complex. The obtained fluorescence and 1H-NMR data indicate that a 1:1 stoichiometry complex is formed between compound 3 and dicarboxylate anions through a hydrogen-bonding interaction. The selectivity of 3 for recognition of different dicarboxylates depends on the chain length of the anionic species.

  报告了几种用作阴离子物种检测化学传感器的萘脲衍生物的合成和光物理行为。其中，化合物 3 显示了光诱导电子转移（PET）过程。研究人员对 3 加入二羧酸阴离子后的光物理特性进行了研究。结果表明，萘基分子的荧光淬灭和新发射的出现是由复合物的形成诱导的。所获得的荧光和 1H-NMR 数据表明，化合物 3 与二羧酸阴离子之间通过氢键作用形成了 1:1 的配比复合物。化合物 3 识别不同二羧酸盐的选择性取决于阴离子物种的链长。
• US2014/275025
  申请人：——

  公开号：——

  公开（公告）日：——
• Phthalein Derivatives as a New Tool for Selectivity in Thymidylate Synthase Inhibition
  作者：Paola M. Costi、Marcella Rinaldi、Donatella Tondi、Piergiorgio Pecorari、Daniela Barlocco、Stefano Ghelli、Robert M. Stroud、Daniel V. Santi、Thomas J. Stout、Chiara Musiu、Elena M. Marangiu、Alessandra Pani、Donatella Congiu、Giulia A. Loi、Paolo La Colla

  DOI：10.1021/jm9900016

  日期：1999.6.1

  A new set of phthalein derivatives stemming from the lead compound, phenolphthalein, were designed to specifically complement structural features of a bacterial form of thymidylate synthase (Lactobacillus casei, LcTS) versus the human TS (hTS) enzyme. The new compounds were screened for their activity and their specificity against TS enzymes from different species, namely, L. casei (LcTS), Pneumocystis carinii (PcTS), Cryptococcus neoformans (CnTS), and human thymidylate synthase (hTS). Apparent inhibition constants (Ki) for all the compounds against LcTS were determined, and inhibition factors (IF,ratio between the initial rates of the enzymatic reaction in the presence and absence of each inhibitor) against each of the four TS species were measured. A strong correlation was found between the two activity parameters, IF and Ki, and therefore the simpler IF was used as a screening factor in order to accelerate biological evaluation. Compounds 5b, 5c, 5ba, and 6bc showed substantial inhibition of LcTS while remaining largely inactive against hTS, illustrating for the first time remarkable species specificity among TSs. Due to sequence homology between the enzymes, several compounds also showed high activity and specificity for CnTS. In particular, 3-hydroxy-3-(3-chloro-4-hydroxyphenyl)-6-nitro-1H,3H-naphtho[1,8-c,d]pyran-1-one, (6bc) showed an IF < 0.04 for CnTS (K-i = 0.45 mu M) while remaining inactive in the hTS assay at the maximum solubility concentration of the compound (200 mu M). In cell culture assays most Of the compounds were found to be noncytotoxic to human cell lines but were cytotoxic against several species of Grampositive bacteria. These results are consistent with the enzymatic assays. Intriguingly, several compounds also had selective activity against Cr. neoformans in cell culture assay. In general, the most active and selective compounds against the Gram-positive bacteria were those designed and found in the enzyme assay to be specific for LcTS versus hTS. The original lead compound was least selective against most of the cell lines tested. To our knowledge these compounds are the first TS inhibitors selective for bacterial TS with respect to hTS.
• WISE, L. D.;PATTISON, I. C.;BUTLER, D. E.;DEWALD, H. A.;LEWIS, E. P.;LOBB+, J. MED. CHEM., 1985, 28, N 12, 1811-1817
  作者：WISE, L. D.、PATTISON, I. C.、BUTLER, D. E.、DEWALD, H. A.、LEWIS, E. P.、LOBB+

  DOI：——

  日期：——
• アミノ基を有する有機リチウム化合物およびその中間体の製造方法、並びに有機リチウム化合物を用いた共役ジエン系重合体の製造方法
  申请人：住友化学株式会社

  公开号：JP2018172368A

  公开（公告）日：2018-11-08

  【課題】アミノ基を有する有機リチウム化合物の工業的に有利な製造方法の提供。【解決手段】塩（１）とヨウ化アルカリ金属（２）とを反応させて塩（３）を得る工程（ａ）、塩（３）と塩基とを反応させて化合物（４）を得る工程（ｂ）、化合物（４）と化合物（５）とを反応させて有機リチウム化合物（６）を得る工程（ｃ）、および有機リチウム化合物（６）とオレフィン性二重結合を有する化合物（７）とを反応させて有機リチウム化合物（８）を得る工程（ｄ）を含む、有機リチウム化合物（８）の製造方法。【選択図】なし

  【问题】提供具有氨基基团的有机锂化合物的工业上有利的制造方法。 【解决方案】 包括以下步骤的有机锂化合物（8）的制备方法：（a）通过反应盐（1）和碱金属碘化物（2）来获得盐（3）；（b）通过反应盐（3）和碱来获得化合物（4）；（c）通过反应化合物（4）和化合物（5）来获得有机锂化合物（6）；以及（d）通过反应具有烯丙基双键的化合物（7）和有机锂化合物（6）来获得有机锂化合物（8）。 【选择图】无