neopentyl chlorosulfite | 35505-36-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: neopentyl chlorosulfite
• 英文别名: 1-Chlorosulfinyloxy-2,2-dimethylpropane
• CAS: 35505-36-3
• 化学式: C₅H₁₁ClO₂S
• 分子量: 170.66
• InChiKey: NFKXVSOZULEURV-UHFFFAOYSA-N

物化性质

• 沸点：
  64-67 °C(Press: 12 Torr)
• 密度：
  1.233±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  9
• 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：
  45.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  neopentyl chlorosulfite 在 盐酸喹啉 作用下， 生成 氯化新戊烷
  参考文献：
  名称：

  Gerrard; Tolcher, Journal of the Chemical Society, 1954, p. 3640

  摘要：

  DOI：
• 作为产物：
  描述：

  新戊醇 在 氯化亚砜 作用下， 反应 48.0h， 以95%的产率得到neopentyl chlorosulfite
  参考文献：
  名称：

  硫酸盐制备的硫酸化氧化方案

  摘要：

  通过亚硫酸盐和硫酸盐二酯中间体，已经开发了一种新颖的高产率的醇硫酸化方法。亚硫酸盐二酯可用作通用的硫酸盐单酯前体，从而使后者化合物难以或不可能进行转化。

  DOI：

  10.1021/jo060404v

文献信息

• [EN] COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF<br/>[FR] COMPOSITIONS COMPRENANT DES PLATEFORMES DE LIEURS CLIVABLES PAR UNE ENZYME ET LEURS CONJUGUÉS
  申请人：UNIV DANMARKS TEKNISKE

  公开号：WO2020260597A1

  公开（公告）日：2020-12-30

  The present invention relates to a cleavable linker platform. In particular, the invention relates to construction of an enzyme cleavable linker platform conjugated to a drug or a diagnostically relevant compound, a biomolecule, and an enzyme cleavable group, for which cleavage of the enzyme cleavable group leads to release of the drug or diagnostically relevant compound.

  本发明涉及可切割连接剂平台。具体而言，本发明涉及构建一个与药物或诊断相关化合物、生物分子以及可切割酶基团共轭的酶可切割连接剂平台，其中酶可切割基团的切割导致药物或诊断相关化合物的释放。
• Factors in the formation of isomerically and optically pure alkyl halides. Part V. Conditions which determine the formation of 2-halogeno-2-methyl- and 2-halogeno-3-methyl-butanes in the preparation of 1-halogeno-2,2-dimethylpropanes from 2,2-dimethylpropan-1-ol
  作者：H. R. Hudson

  DOI：10.1039/j29680000664

  日期：——

  that the preparation of 1-halogeno-2,2-dimethylpropanes from the corresponding alcohol may be accompanied by the formation of 2-halogeno-2-methylbutanes and 2-halogeno-3-methylbutanes. The latter are frequently observed in bromide or iodide systems and are thought to result from isomerization of the first formed t-halides. Rearrangements occurring during the reactions of 2,2-dimethylpropan-1-ol with the

  气相色谱分析表明，由相应的醇制备1-卤代-2,2-二甲基丙烷可能伴随着2-卤代-2-甲基丁烷和2-卤代-3-甲基丁烷的形成。后者经常在溴化物或碘化物体系中观察到，并被认为是由于首先形成的叔卤化物的异构化导致的。据报道，在2，2-二甲基丙-1-醇与氢，磷和亚硫酰卤反应期间发生重排，并对各种制备方法进行了评估。
• Reinvestigation of the SNi reaction. The ionization of chlorosulfites
  作者：Peter R. Schreiner、Paul v. R. Schleyer、Richard K. Hill

  DOI：10.1021/jo00062a028

  日期：1993.5

  The decomposition of alkyl chlorosulfites (ROSOCl) has been investigated both computationally and experimentally. Semiempirical (AM1 and PM3) as well as ab initio (HF/3-21G(*), HF/6-31G*, and MP2(full)/6-31G*//MP2(full)/6-31G*) methods were employed, and the results were confirmed experimentally by NMR spectroscopy. The computations indicated that certain alkyl sulfinyl cations (ROSO+) are stable and might be involved in the decomposition of chlorosulfites. Detection of these ions by H-1 and C-13 NMR spectroscopy in polar solvents such as acetone-d6 and acetonitrile-d3 as well as kinetic studies allowed important conclusions to be drawn about the mechanistic details of the S(N)i reaction. We conclude that primary alkyl chlorosulfites ionize to yield a sulfinyl cation (ROSO+) and Cl-, whereas tertiary chlorosulfites preferentially give a carbenium ion and a chlorosulfinyl anion (OSOCl-). The generation of these ion pairs is facilitated in polar solvents where the rates of decomposition of chlorosulfites are largely accelerated. The decomposition of neopentyl chlorosulfite without rearrangement and the substitution at the bridgehead position of 7,7-dimethylbicyclo[2.2.1]-heptyl 1-chlorosulfite show that the loss Of SO2 from ROSO+ must be accompanied by the attack of the chloride ion from the front side.
• Gerrard; Nechvatal; Wilson, Journal of the Chemical Society, 1950, p. 2090
  作者：Gerrard、Nechvatal、Wilson

  DOI：——

  日期：——
• Verfahren zur Herstellung von 2,2-disubstituierten 3-Chlorpropionsäureestern
  申请人：BASF Aktiengesellschaft

  公开号：EP0266690B1

  公开（公告）日：1992-02-05