3,5-dimethyl pyrazole-1-carbodithioic acid | 754914-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-dimethyl pyrazole-1-carbodithioic acid
• 英文别名: 3,5-dimethylpyrazol-1-yl dithiocarbamate；3,5-dimethylpyrazol-1-yldithiocarbamate；3,5-Dimethylpyrazole-1-carbodithioic acid
• CAS: 754914-32-4
• 化学式: C₆H₈N₂S₂
• 分子量: 172.275
• InChiKey: VANRXGCQKBLKEV-UHFFFAOYSA-N

物化性质

• 沸点：
  279.7±43.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二氯(DPPE)二金(I) 、 3,5-dimethyl pyrazole-1-carbodithioic acid 以 二氯甲烷 、 水 为溶剂， 反应 0.33h， 以88%的产率得到bis-(3,5-dimethylpyrazolyl-1-dithiocarbamato)-bis-(diphenylphosphino)ethane dinuclear gold(I)
  参考文献：
  名称：

  Phosphinogold(I) Dithiocarbamate Complexes: Effect of the Nature of Phosphine Ligand on Anticancer Properties

  摘要：

  The reactions of potassium salts of the dithiocarbamates L {where L = pyrazolyldithiocarbamate (L1), 3,5-dimethylpyrazolyldithiocarbamate (L2), or indazolyldithiocarbamate (L3)} with the gold precursors [AuCl(PPh3)], [Au2Cl2(dppe)], [Au2Cl2(dppp)], or [Au2Cl2-(dpph)] lead to the new gold(I) complexes [AuL(PPh3)] (1-3), [Au2L2(dppe)] (4-6), [(Au2L2)(dppp)] (7-9), and [Au-2(L)(2)(dpph)] (10-12) {where dppe = 1,2-bis(diphenylphosphino)ethane, dppp = 1,3-bis(diphenylphosphino)propane, and dpph = 1,6-bis-(diphenylphosphino)hexane}. These gold compounds were characterized by a combination of NMR and infrared spectroscopy, microanalysis, and mass spectrometry; and in selected cases by single-crystal X-ray crystallography. Compounds 4-6, which have dppe ligands, are unstable in solution for prolonged periods, with 4 readily transforming to the Au-18 cluster [Au18S8(dppe)(6)]Cl-2 (4a) in dichloromethane. Compounds 1-3 and 7-12 are all active against human cervical epithelioid carcinoma (HeLa) cells, but the most active compounds are 10 and 11, with IC50 values of 0.51 mu M and 0.14 mu M, respectively. Compounds 10 and 11 are more selective toward HeLa cells than they are toward normal cells, with selectivities of 25.0 and 70.5, respectively. Further tests, utilizing the 60-cell-line Developmental Therapeutics Program at the National Cancer Institute (U.S.A.), showed 10 and 11 to be active against nine other types of cancers.

  DOI：

  10.1021/ic4025926
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 二硫化碳 在 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以3.18 g的产率得到3,5-dimethyl pyrazole-1-carbodithioic acid
  参考文献：
  名称：

  Precursor-driven selective synthesis of hexagonal chalcocite (Cu₂S) nanocrystals: structural, optical, electrical and photocatalytic properties

  摘要：

  一种新的单源前驱体，[Cu(mdpa)₂][CuCl₂]，被用来选择性地制备具有优异的光降解刚果红（CR）的高硫化铜（Cu₂S）。

  DOI：

  10.1039/c4nj00584h

文献信息

• DITHIOESTER COMPOUND
  申请人：Sumitomo Rubber Industries, Ltd.

  公开号：US20210188780A1

  公开（公告）日：2021-06-24

  An object of the present invention is to provide a dithioester compound generating an aralkyloxy radical having high ability of abstracting hydrogen. The present invention provides a dithioester compound represented by a formula (1). [In the formula (1), R 1 and R 2 each independently represent an alkyl group having 1 or more carbon atoms, an alkenyl group having two or more carbon atoms, an alkynyl group having two or more carbon atoms, an aryl group having 6 or more carbon atoms and optionally having a substituent group, an aralkyl group having 6 or more carbon atoms, a hydrogen atom, or a halogen atom; R 3 represents an aryl group having 6 or more carbon atoms and optionally having a substituent group, or an aralkyl group having 6 or more carbon atoms and optionally having a substituent group.]

  本发明的一个目的是提供一种生成具有高氢抽取能力的芳基氧自由基的二硫酯化合物。本发明提供了一种由式（1）表示的二硫酯化合物。 [在式（1）中，R1和R2分别独立表示具有1个或更多个碳原子的烷基基团，具有两个或更多个碳原子的烯基基团，具有两个或更多个碳原子的炔基基团，具有6个或更多个碳原子并且可选地具有取代基团的芳基基团，具有6个或更多个碳原子的芳基基团，氢原子或卤素原子；R3表示具有6个或更多个碳原子并且可选地具有取代基团的芳基基团，或具有6个或更多个碳原子并且可选地具有取代基团的芳基基团。]
• [EN] ALL PURPOSE RAFT AGENT<br/>[FR] AGENT RAFT POLYVALENT
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2016054689A1

  公开（公告）日：2016-04-14

  The present invention relates to a RAFT agent of formula (I) where R1, R2 and R3 are each independently selected from H and optionally substituted alkyl.

  本发明涉及一种公式（I）的RAFT试剂，其中R1、R2和R3分别独立地选择自H和可选取代烷基。
• Golf ball
  申请人：Sumitomo Rubber Industries, Ltd.

  公开号：US11065510B2

  公开（公告）日：2021-07-20

  An object of the present invention is to provide a golf ball having a low spin rate on driver shots. The present invention provides a golf ball comprising a spherical core and at least one cover layer covering the spherical core, wherein the spherical core is formed from a rubber composition containing (a) a base rubber, (b) a co-crosslinking agent, (c) a crosslinking initiator, and (d) a RAFT agent, (b) the co-crosslinking agent contains an α,β-unsaturated carboxylic acid having 3 to 8 carbon atoms and/or a metal salt thereof, and (d) the RAFT agent is a compound represented by the formula (1): in the formula (1), R represents a monovalent organic group, and Z represents a monovalent organic group.

  本发明的目的是提供一种在发球木杆击球时具有低后旋率的高尔夫球。本发明提供了一种高尔夫球，包括一个球形芯和至少一个覆盖在球形芯上的覆盖层，其中球形芯由橡胶组合物形成，该橡胶组合物含有(a) 基础橡胶，(b) 共交联剂、(b) 共交联剂包含具有 3 至 8 个碳原子的 α、β-不饱和羧酸和/或其金属盐，以及 (d) RAFT 剂是由式 (1) 表示的化合物： 式（1）中，R 代表一价有机基团，Z 代表一价有机基团。
• Dithioester compound
  申请人：Sumitomo Rubber Industries, Ltd.

  公开号：US11370760B2

  公开（公告）日：2022-06-28

  An object of the present invention is to provide a dithioester compound generating an aralkyloxy radical having high ability of abstracting hydrogen. The present invention provides a dithioester compound represented by a formula (1). In the formula (1), R1 and R2 each independently represent an alkyl group having 1 or more carbon atoms, an alkenyl group having two or more carbon atoms, an alkynyl group having two or more carbon atoms, an aryl group having 6 or more carbon atoms and optionally having a substituent group, an aralkyl group having 6 or more carbon atoms, a hydrogen atom, or a halogen atom; R3 represents an aryl group having 6 or more carbon atoms and optionally having a substituent group, or an aralkyl group having 6 or more carbon atoms and optionally having a substituent group.

  本发明的目的是提供一种二硫代酯化合物，该化合物生成的烷氧基具有很强的吸氢能力。本发明提供了一种由式（1）表示的二硫酯化合物。 在式 (1) 中，R1 和 R2 各自独立地代表具有 1 个或多个碳原子的烷基、具有 2 个或多个碳原子的烯基、具有 2 个或多个碳原子的炔基、具有 6 个或多个碳原子且任选具有取代基的芳基、具有 6 个或多个碳原子的芳烷基、氢原子或卤素原子；R3 代表具有 6 个或多个碳原子且任选具有取代基的芳基，或具有 6 个或多个碳原子且任选具有取代基的芳烷基。
• N-heterocyclic dithiocarbamate platinum(II) complexes: Unexpected transformation of dithiocarbamate to oxodithiocarbonate in phosphinoplatinum complexes in solution
  作者：Frankline K. Keter、Ilia A. Guzei、James Darkwa

  DOI：10.1016/j.inoche.2012.10.003

  日期：2013.1

  [PtCl2(dppe)] (dppe=1,2-bis(diphenylphosphino)ethane) reacts with pyrazol-1-yl- (L1), 3,5-dimethylpyrazol-1-yl- (L2), and indazol-1-yl- (L3) dithiocarbamate to form (Pt(L1)(2)(dpPe)1 (1), [Pt(L2)(2)(dPPe)] (2) and [Pt(L3)(2)(dppe)] (3). These complexes readily transform into [Pt(S2CO)(dppe)] (4) in chloroform and dichloromethane at room temperature. Stability of the bis(dithiocarbamate)platinum complex from L2, [Pt(L2)(2)] (5) suggests that the transformation of 1-3 to 4 is facilitated by the phosphine ancillary ligand. (C) 2012 Elsevier B.V. All rights reserved.