n-propyl N-phenylthiocarbamate | 17425-09-1

• 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: n-propyl N-phenylthiocarbamate
• 英文别名: O-propyl phenylthiocarbamate；phenyl-thiocarbamic acid O-propyl ester；Phenyl-thiocarbamidsaeure-O-propylester；Thiocarbanilsaeure-O-propylester；Phenylthiocarbamidsaeure-O-n-propylester；N-Phenyl-O-propyl-thionocarbamat；O-propyl N-phenylcarbamothioate
• CAS: 17425-09-1
• 化学式: C₁₀H₁₃NOS
• 分子量: 195.285
• InChiKey: NDDKPSQRCAHMFH-UHFFFAOYSA-N

物化性质

• 熔点：
  43-44 °C
• 沸点：
  264.2±23.0 °C(Predicted)
• 密度：
  1.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  4
• 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：

  n-propyl N-phenylthiocarbamate 在 双氧水 作用下， 以 甲醇 、 苯 为溶剂， 生成 N-Phenyl-O-propyl-formimidoester-disulfid
  参考文献：
  名称：

  Walter,W.; Bode,K.-D., Justus Liebigs Annalen der Chemie, 1965, vol. 681, p. 64 - 84

  摘要：

  DOI：
• 作为产物：
  描述：

  溴苯 、 O-propyl thiocarbamate 在 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以79%的产率得到n-propyl N-phenylthiocarbamate
  参考文献：
  名称：

  Fe 3 O 4 @SiO 2 /席夫碱/ Cu（ii）络合物作为一种有效的可回收磁性纳米催化剂，用于将伯O-烷基硫代氨基甲酸酯和伯O-氨基甲酸氨基酯与芳基卤化物和芳基硼​​酸进行选择性单N芳基化反应†

  摘要：

  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。

  DOI：

  10.1039/c9nj00028c

文献信息

• ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION
  申请人：ASAHI KASEI CHEMICALS CORPORATION

  公开号：US20160016901A1

  公开（公告）日：2016-01-21

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  该发明涉及一种使用有机初级胺和硫脲作为起始原料的异硫氰酸酯生产方法；一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的羰基的当量重量比在1到100的范围内；一种用于运输和储存具有硫脲基团的化合物的组合物，包括具有硫脲基团的化合物和羟基化合物，羟基化合物的羟基与具有硫脲基团的化合物的硫脲基团的当量重量比在1到100的范围内；以及含有异硫氰酸酯和具有特定功能基团的化合物的异硫氰酸酯组合物。
• 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。
• ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION
  申请人：INASAKI Takeshi

  公开号：US20130029255A1

  公开（公告）日：2013-01-31

  Provided is an actinic ray-sensitive or radiation-sensitive resin composition containing a compound (A) which contains at least one phenolic hydroxyl group and at least one group where a hydrogen atom in a phenolic hydroxyl group is substituted by a group represented by the following General Formula (1). (in the formula, each of R 11 and R 12 independently represents a hydrogen atom, an alkyl group, a cycloalkyl group, an aryl group, or an aralkyl group; X 11 represents an aryl group; M 11 represents a single bond or a divalent linking group; and Q 11 represents an alkyl group, a cycloalkyl group or an aryl group, wherein the number of carbon atoms which are included in the group represented by -M 11 -Q 11 is 3 or more, and at least two of R 11 , R 12 , Q 11 , and X 11 may form a ring by bonding to each other)

  提供的是一种感光树脂组合物，其中包含至少含有一个酚羟基和至少一个氢原子被以下通式（1）所代表的基替换的基团的化合物（A）。（在通式中，R11和R12分别独立地表示氢原子、烷基、环烷基、芳基或芳基烷基；X11表示芳基；M11表示单键或二价连接基团；Q11表示烷基、环烷基或芳基，其中包含在-M11-Q11所代表的基团中的碳原子数为3或更多，并且R11、R12、Q11和X11中至少有两个可以通过相互键合形成环）
• ISOTHIOCYANATE COMPOSITION
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP3214071A1

  公开（公告）日：2017-09-06

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。