S-cyclohexyl 2,2-dimethylthiopropanoate | 10035-85-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: S-cyclohexyl 2,2-dimethylthiopropanoate
• 英文别名: Cyclohexyl-thiolpivalat；S-cyclohexyl 2,2-dimethylpropanethioate
• CAS: 10035-85-5
• 化学式: C₁₁H₂₀OS
• 分子量: 200.345
• InChiKey: SOAJBLMTIGVHKU-UHFFFAOYSA-N

物化性质

• 沸点：
  269.2±7.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-cyclohexyl 2,2-dimethylthiopropanoate 在 萘 、 lithium 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以23%的产率得到环己硫醇
  参考文献：
  名称：

  萘催化锂化对酯、硫酯和酰胺的脱酰化

  摘要：

  衍生自新戊酸、苯甲酸和 4-叔丁基苯甲酸的不同酯、硫酯和酰胺与过量的锂和催化量的萘 (8 mol%) 反应，在甲醇分解后生成相应的醇、硫醇和胺，分别通过还原性非水解程序。这种方法代表了其他非还原协议的合理替代方案。

  DOI：

  10.1055/s-2005-918501
• 作为产物：
  描述：

  环己硫醇 、 三甲基乙酸酐 在 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以95%的产率得到S-cyclohexyl 2,2-dimethylthiopropanoate
  参考文献：
  名称：

  硫醇与酸酐的简单酰化作用

  摘要：

  在碳酸钾存在下，在室温下用不同的酸酐将不同的硫醇有效地酰化。使用二-达到在羟基基团存在的硫醇化学选择性保护叔丁基酯和靛红酸酐。

  DOI：

  10.1016/j.tetlet.2010.07.126

文献信息

• Liu, Hsing-Jang; Sabesan, Subramaniam Iyer, Canadian Journal of Chemistry, 1980, vol. 58, p. 2645 - 2648
  作者：Liu, Hsing-Jang、Sabesan, Subramaniam Iyer

  DOI：——

  日期：——
• A Convenient Synthesis of Branched Unsymmetrical Sulfides
  作者：Ernest L. Eliel、Ronald A. Daignault

  DOI：10.1021/jo01029a508

  日期：1964.6
• LIU H.-J.; SABESAN S. I., CAN. J. CHEM., 1980, 58, NO 23, 2645-2648
  作者：LIU H.-J.、 SABESAN S. I.

  DOI：——

  日期：——
• FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032222A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a five-membered ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, or R 1 R 2 N—, etc.; Ar is Het is a 5-membered unsaturated ring, the ring contains, besides the 1-C atom, 0 to 4 atoms or radicals follows to form the ring: O, NR b , S; R a is one or more groups selected from: hydrogen, halogen, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, and alkenyl, etc.; R b , R 1 , R 2 , R 3 are each independently hydrogen, nitro, hydroxy, or amino, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.
• PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：Qingdao Kingagroot Chemical Compound Co., Ltd.

  公开号：US20210032229A1

  公开（公告）日：2021-02-04

  The invention belongs to the technical field of agricultural chemicals, and in particular relates to a pyridine ring-substituted pyridazinol compound and a derivatives thereof, preparation method, herbicidal composition and application thereof. The compound is as shown in Formula I: wherein, X is halogen, cyano, alkyl, halogenated alkyl, alkoxy, halogenated alkoxy, R 1 R 2 N—(C═O)—, R 1 R 2 N—, hydroxy, or unsubstituted or substituted aryl; Y is independently selected from hydrogen, halogen, cyano, nitro, R—O—(CH 2 ) n —, and R 1 R 2 R 3 SiO—, etc.; r is an integer from 0 to 4, m is 0 or 1, n and q are independently an integer from 0 to 8, p is an integer from 1 to 8; R is hydrogen, or a halogen-containing or not containing group selected from alkyl, alkenyl, alkynyl, and cycloalkyl, etc.; R 1 , R 2 , R 3 are each independently hydrogen, nitro, or hydroxy, etc. The compound and the derivative, as well as the composition thereof have very high herbicidal activity and good selectivity, and are safe for crops.