N-[2-[2-(二丙-2-基氨基)乙基二巯基]乙基]-N-丙-2-基-丙-2-胺 | 65332-44-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-[2-[2-(二丙-2-基氨基)乙基二巯基]乙基]-N-丙-2-基-丙-2-胺
• 英文名称: N,N'-(dithiodiethane-2,1-diyl)bis(N-isopropylpropan-2-amine)
• 英文别名: bis-(2-diisopropylaminoethyl) disulfide；bis(diisopropylaminoethyl) disulfide；N,N-diisopropylaminoethyl disulfide；Bis(diisopropylaminoethyl)disulfide；N-[2-[2-[di(propan-2-yl)amino]ethyldisulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
• CAS: 65332-44-7
• 化学式: C₁₆H₃₆N₂S₂
• 分子量: 320.607
• InChiKey: ZZTNOKXWKFKVLW-UHFFFAOYSA-N

物化性质

• 沸点：
  372.4±27.0 °C(Predicted)
• 密度：
  0.952±0.06 g/cm3(Predicted)
• 保留指数：
  2036;2036

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  N-[2-[2-(二丙-2-基氨基)乙基二巯基]乙基]-N-丙-2-基-丙-2-胺 在 三乙烯二胺 、 二氯化二硫 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Tertiary amine–S2Cl2 chemistry: interception of reaction intermediates

  摘要：

  通过 N-(2-氯乙基)二异丙基胺 1a 与 S2Cl2 的反应，可以选择性地一次性制备出三环 4-(2-氯乙基)双硫代噻嗪 8 和 9，或者在反应后期加入五硫化二磷，制备出 X 射线晶体学表征的二硫代噻嗪 6b；从（2-二异丙基氨基）乙硫醇 1b 及其二硫化物 1c 和 S2Cl2 中也可以得到氯乙基衍生物 8，这是一种罕见的将硫醇或二硫化物转化为相应的氯化合物的方法。

  DOI：

  10.1039/a708396c
• 作为产物：
  描述：

  2-(二异丙基氨基)-乙烷硫醇 在 sodium hydroxide 、 potassium iodide 作用下， 以 水 为溶剂， 反应 2.0h， 以80%的产率得到N-[2-[2-(二丙-2-基氨基)乙基二巯基]乙基]-N-丙-2-基-丙-2-胺
  参考文献：
  名称：

  .beta.-(N,N-Dialkylamino)ethyl arylthiosulfonates: new simulants for O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate

  摘要：

  Beta-(N,N-Dialkylamino)ethyl arylthiosulfonates 2, new simulants for the hydrolysis and oxidation chemistry of VX (1), are prepared in good yield by reaction of a potassium arylthiosulfonate with a 2-chloroethylamine. Alkaline hydrolysis of 2 results in cleavage of the S-S bond to give sulfinic acids and disulfides. Like VX, oxidation of 2 by N-sulfonyloxaziridine 12 occurs exclusively on nitrogen to give the corresponding amine oxide which subsequently undergoes a Cope elimination reaction affording the vinyl sulfide 14.

  DOI：

  10.1021/jo00035a013

文献信息

• Visible-light C–heteroatom bond cleavage and detoxification of chemical warfare agents using titania-supported gold nanoparticles as photocatalyst
  作者：Ştefan Neaţu、Bogdan Cojocaru、Vasile I. Pârvulescu、Vasile Şomoghi、Mercedes Alvaro、Hermenegildo Garcia

  DOI：10.1039/c0jm00345j

  日期：——

  Gold nanoparticles supported on TiO2 effect the detoxification of soman and VX nerve gases and yperite vesicant agent at room temperature upon visible light illumination.

  在可见光照射下，室温条件下，负载于TiO2上的金纳米颗粒能够实现对梭曼（soman）和VX神经毒气以及芥子气皮炎诱导剂的解毒作用。
• METHOD AND DEVICE FOR THE DETECTION OF SULPHUR CONTAINING SPECIES
  申请人：Fallis Ian

  公开号：US20130224873A1

  公开（公告）日：2013-08-29

  A method is provided for detecting sulphur-containing species (such as thiophosphorous esters, in particular phosphorylating agents), in which a suspected sulphur-containing species is brought into contact with a tetrazolium compound in the presence of base, typically at a pH of at least 8. A device, kit and tetrazolium compounds for use in such a method are also disclosed.

  提供了一种用于检测含硫物质（如噻磷酯酯，特别是磷酰化剂）的方法，其中将疑似含硫物质与四唑化合物在碱的存在下接触，通常在至少为8的pH下。还公开了用于此类方法的装置、工具包和四唑化合物。
• Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof
  申请人：Xiamen Sinopeg Biotech Co., Ltd.

  公开号：US10660969B2

  公开（公告）日：2020-05-26

  Disclosed are an 8-arm polyethylene glycol (PEG) derivative (formula 1), manufacturing method and modified bio-related substance thereby, wherein a tetravalent group U and four trivalent groups Ec form a highly symmetric octavalent central structure CORE0 together, Lc connects the octavalent center to eight PEG arms having polydiversity or monodiversity and having n1-n8 as the degrees of polymerization thereof. The terminal of one PEG chain is connected to at least one functional group F (k≥1), and said PEG chain and F can be directly connected (g=0) or connected with a divalent linking group L0 connected with a terminal branched group G (g=1) therebetween. The latter provides more reacting sites to combine more pharmaceutical molecules, thereby increasing the drug loading capacity. The near-center symmetric structure of the derivative allows more precise control over the molecular weight during large-scale production, thereby facilitating acquisition of a product having a narrower molecular weight distribution. A bio-related substance modified thereby has a more uniform and controllable performance.

  本发明公开了一种 8 臂聚乙二醇（PEG）衍生物（式 1）、其制造方法和改性生物相关物质，其中一个四价基团 U 和四个三价基团 Ec 共同形成一个高度对称的八价中心结构 CORE0，Lc 将八价中心连接到八个 PEG 臂上，这些 PEG 臂具有多元性或单元性，其聚合度为 n1-n8。一条 PEG 链的末端与至少一个官能团 F（k≥1）相连，所述 PEG 链和 F 可以直接相连（g=0），也可以通过二价连接基 L0 与末端支化基 G（g=1）相连。后者提供了更多的反应位点，可结合更多的药物分子，从而提高药物负载能力。衍生物的近中心对称结构可以在大规模生产过程中更精确地控制分子量，从而有利于获得分子量分布更窄的产品。由此改性的生物相关物质具有更均匀、更可控的性能。
• Analysis of Chemical Neutralization Products of Phosphonothiolates by Gas Chromatography Mass Spectrometry
  作者：A. K. Gupta、M. Palit、D. K. Dubey、S. K. Raza

  DOI：10.1080/10426500307845

  日期：2003.8.1

  A series of phosphonothiolates, including the highly toxic O-Ethyl-S-(2-diisopropylamino) ethyl methylphosphonothioate (VX), have been subjected to chemical neutralization reaction with metallic sodium. The phosphonothiolates decompose to their respective phosphonic and phosphonothioic acids and this results in the detoxification of VX. GC/MS technique in both EI and CI mode has been applied for reaction monitoring and final identification of the neutralization products formed in this reaction.
• Synthesis of Bis[1,2]dithiolo[1,4]thiazines and a [1,2]Dithiolo[1,4]thiazine from Tertiary Diisopropylamines
  作者：Charles W. Rees、Andrew J. P. White、David J. Williams、Oleg A. Rakitin、Lidia S. Konstantinova、Carlos F. Marcos、Tomás Torroba

  DOI：10.1021/jo9902345

  日期：1999.7.1

  The reaction of N-(2-chloroethyl)diisopropylamine 1a with S2Cl2 allows the selective one-pot preparation of the tricyclic 4-(2-chloroethyl) bisdithiolothiazines 2-4 or, by addition of phosphorus pentasulfide at a rate stage in the reaction, of the dithiolothiazine 5. The chloroethyl derivative 2 is also obtained from (2-diisopropylamino)ethanethiol 1b, or its disulfide 1c, with S2Cl2, in a rare conversion of a thiol or disulfide into the corresponding chloro compound. Compounds 2 and 5 are also obtained from N-(2-hydroxyethyl)diisopropylamine 1d, though in much lower yields. The reaction of N-(2-phenylthioethyl) (1e) or N-(2-phthalimidoethyl)diisopropylamines 1f,g affords bisdithiolothiazines 7, 8, 9, and 11 and the dithiolopyrrole 10, A coherent set of reaction pathways for the formation of these products is proposed. X-ray crystallography shows that the bisdithiolothiazine ring system of 2 is folded out of planarity about the thiazine N-S vector, with the N-chloroethyl group folded back over the thiazine ring with the chlorine atom lying above the thiazine sulfur atom; the dithiolothiazine ring system of 5 has the thiazine ring in a "sofa" conformation.

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