O-2-propyl phenylthiocarbamate | 2150-31-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O-2-propyl phenylthiocarbamate
• 英文别名: phenyl-thiocarbamic acid O-isopropyl ester；Phenyl-thiocarbamidsaeure-O-isopropylester；Thiocarbanilsaeure-O-isopropylester；Phenylthiocarbamidsaeure-O-isopropylester；Isopropyl-N-phenyl-thionocarbamat；O-propan-2-yl N-phenylcarbamothioate
• CAS: 2150-31-4
• 化学式: C₁₀H₁₃NOS
• mdl: MFCD00463554
• 分子量: 195.285
• InChiKey: FJFQKLYYYLPHND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  O-2-propyl phenylthiocarbamate 在 sodium hydroxide 、 potassium hexacyanoferrate(III) 作用下， 生成 2-异丙氧基-1,3-苯并噻唑
  参考文献：
  名称：

  Adachi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 1426,1427, 1428

  摘要：

  DOI：
• 作为产物：
  描述：

  异丙醇 、 N,N'-二苯基硫脲 在 盐酸 作用下， 生成 O-2-propyl phenylthiocarbamate
  参考文献：
  名称：

  Nishimura, Scientific Papers of the Institute of Physical and Chemical Research (Japan), 1942, vol. 40, p. 181,183, 184, 186

  摘要：

  DOI：

文献信息

• An Fe₃O₄@SiO₂/Schiff base/Cu(<scp>ii</scp>) complex as an efficient recyclable magnetic nanocatalyst for selective mono <i>N</i>-arylation of primary <i>O</i>-alkyl thiocarbamates and primary <i>O</i>-alkyl carbamates with aryl halides and arylboronic acids
  作者：Ali Reza Sardarian、Iman Dindarloo Inaloo、Milad Zangiabadi

  DOI：10.1039/c9nj00028c

  日期：——

  the selective mono N-arylation of primary O-alkyl thiocarbamates and primary O-alkyl carbamates with aryl halides and arylboronic acids in the presence of a recyclable magnetic Cu(II) nanocatalyst is described. A variety of mono N-arylated O-alkyl thiocarbamates and O-alkyl carbamates were prepared in good to excellent yields with a broad range of aryl coupling partners. The magnetic nanocatalyst can

  用于选择性单一种高效，方便的和新颖的方法Ñ的-arylation初级ø -烷基硫代氨基甲酸盐和初级ö -烷基氨基甲酸酯与芳基卤化物和芳基硼酸在可回收磁性Cu的存在（II）纳米催化剂进行说明。各种单N-芳基化的O-烷基硫代氨基甲酸酯和O氨基甲酸-烷基氨基甲酸酯以良好的收率和优异的收率与广泛的芳基偶联配偶体一起制备。磁性纳米催化剂可以容易地在外部磁场下回收并重复使用至少五次，而不会明显浸出或失去其催化活性。这种具有成本效益和生态友好的方法还具有其他优点，例如易于制备催化剂，简单的后处理程序和易于纯化，这使该方案对于药理学和生物技术系统各个领域的用户而言都很有趣。
• Effect of successive increase in alcohol chains on reaction with isocyanates and isothiocyanates
  作者：Shahnaz Perveen、Arfa Yasmin、Khalid Mohammed Khan

  DOI：10.1080/14786410802270738

  日期：2010.1.10

  The reaction of isocyanates and isothiocyanates with long-chain alcohols, e.g. n-hexanol, n-heptanol and n-octanol, exclusively gave N-aryl-O-alkyl carbamates, while N-aryl-O-alkyl carbamates were formed along with symmetrical 1,3-disubstituted ureas and thioureas when the same reactions were carried out with small-chain alcohols at room temperature without using any solvent.

  异氰酸酯和异硫氰酸酯与长链醇，例如将反应Ñ己醇，Ñ庚醇和Ñ辛醇，只给Ñ -芳基- ø -烷基氨基甲酸盐，而Ñ -芳基- ö烷基用对称沿形成氨基甲酸酯当在不使用任何溶剂的情况下与小链醇在室温下进行相同的反应时，1,3-二取代的脲和硫脲。
• Unexpected Products from Mesoionic 1,3-Thiazinium and Oxazinium Olates: A Novel Access to 3,5-Diaryl-1,3-thiazine-2,4,6-trione and Alkoxy-3,5-diphenyl-3H-1,3-oxazine-2,6-dione Derivatives
  作者：Mahboobeh Zahedifar、Hassan Sheibani

  DOI：10.1071/ch14095

  日期：——

  4-olates II, respectively. At room temperature, appropriately substituted mesoionic 1,3-thiazinium 4-olates I eliminated the corresponding alkene with generation of 3,5-diaryl-1,3-thiazine-2,4,6-trione derivatives 3. However, the methoxy-substituted compound 5 was stable at room temperature at least for several weeks. In the case of the mesoionic1,3-oxazinium 4-olates II an alkyl group migration affords 4-alkoxy-3

  （氯羰基）的缩合烯酮1与Ñ -phenylthiocarbamates 2和Ñ -phenylcarbamates 6被假定为导致不稳定的介离子1,3-噻嗪-4- olates的形成我或1,3-恶嗪-4- olates II分别。在室温下，适当取代的介离子1,3-噻嗪-4- olates我消除了生成3,5-二芳基-1,3-噻嗪-2,4,6-三酮衍生物的相应的烯烃3。但是，甲氧基取代的化合物5在室温下至少稳定数周。就中离子的1,3-恶嗪鎓4-油酸酯而言II，烷基迁移提供4-烷氧基-3，5-二苯基-3 H -1，3-恶嗪-2，6-二酮7。
• Investigation of putative arene-C–H⋯π(quasi-chelate ring) interactions in copper(<scp>i</scp>) crystal structures
  作者：Chien Ing Yeo、Siti Nadiah Abdul Halim、Seik Weng Ng、Seng Lim Tan、Julio Zukerman-Schpector、Marco A. B. Ferreira、Edward R. T. Tiekink

  DOI：10.1039/c4cc02040e

  日期：——

  Interactions of the type C–H⋯π(CuCl⋯HNCS), i.e. C–H⋯π(quasi-chelate ring) where a six-membered quasi-chelate ring is closed by an N–H⋯Cl hydrogen bond, are presented.

  以C–H⋯π(CuCl⋯HNCS)类型的相互作用，即C–H⋯π(准螯合环)，其中一个六元准螯合环由N–H⋯Cl氢键封闭，被展示。
• <i>N</i> ‐Iodosuccinimide (NIS) Promoted Synthesis of Unsymmetrical Disulfides Starting from Isothiocyanates Under Transition‐Metal‐Free Conditions
  作者：Cheng‐Li Yang、Hua‐Qing Xiao、Zhi‐Bing Dong

  DOI：10.1002/ejoc.202200954

  日期：2022.10.7

  Under transition-metal-free conditions, a series of unsymmetrical disulfides could be quickly and conveniently obtained by NIS (N-Iodosuccinimide)-promotion in one pot manner. It's noteworthy that the desired products could be obtained in moderate to good yields from inexpensive and easily available starting materials, providing an alternative way to afford various unsymmetrical disulfides.

  在无过渡金属条件下，通过NIS( N -Iodosuccinimide)-促进一锅法可以快速方便地获得一系列不对称二硫化物。值得注意的是，可以从廉价且易于获得的起始材料中以中等至良好的收率获得所需的产品，为提供各种不对称二硫化物提供了一种替代方法。