dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonothioate | 61637-95-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonothioate
• 英文别名: 1-hydroxy-2,2,2-trichloroethane-thionophosphonic acid dimethyl ester；O,O-Dimethyl 1-hydroxy-2,2,2-trichloroethylphosphonothioate；2,2,2-trichloro-1-dimethoxyphosphinothioylethanol
• CAS: 61637-95-4
• 化学式: C₄H₈Cl₃O₃PS
• 分子量: 273.504
• InChiKey: QYWFLUTYZBTVBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 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：
  70.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三氟乙酰氯 、 dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonothioate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以94.7%的产率得到(2,2,2-Trichloro-1-dimethoxyphosphinothioylethyl) 2,2,2-trifluoroacetate
  参考文献：
  名称：

  The Preparation and Properties of Some α-Acyloxy- and α-Carbamoyloxy-Phosphonothionates

  摘要：

  New alpha-acyloxy and alpha-carbamoyloxy derivatives of dimethyl 2,2,2-trichloroethyl-phosphonothionate have been prepared, characterized, and screened for activity against free-living soil nematodes. Several of the more easily hydrolysable esters, and also the N-methylcarbamoyl derivative, were as active as the parent pesticide, dimethyl alpha-hydroxy-2, 2,2-trichloroethylphosphonothionate, after an induction period during which the active species is assumed to be released in vivo. It is concluded that the 2,2,2-trichloroethyl group is essential for activity in compounds of these types and that the presence of the N-methylcarbamoyl group does not in itself confer activity.

  DOI：

  10.1080/10426500307878

文献信息

• INHIBITORS OF POLYISOPRENYLATED METHYLATED PROTEIN METHYL ESTERASE
  申请人：Lamango Nararius Saah

  公开号：US20100087526A1

  公开（公告）日：2010-04-08

  Inhibitors of the enzyme prenylated methylated protein methyl esterase (PMPMEase), the last step in the prenylation process for many eukaryotic proteins, having the general structure R 1 —X-A-B(R 2 )—Y or R 1 —X-A(R 2 )—B—Y, where R 1 is preferably a polyisoprenyl group, X is a linking group, Y is a group that promotes affinity interactions to the active site of PMPMEase and imparts hydrolysis resistance to the inhibitor, A and B are bridge atoms, and R 2 is a characteristic-providing substituent.

  抑制酶前烷基化甲基化蛋白甲酯酶（PMPMEase）的化合物，该酶是许多真核蛋白质烷基化过程的最后一步，具有一般结构R1—X-A-B(R2)—Y或R1—X-A(R2)—B—Y，其中R1最好是聚异戊二烯基基团，X是连接基团，Y是促进与PMPMEase活性位点亲和相互作用并赋予抑制剂水解抗性的基团，A和B是桥接原子，而R2是提供特征的取代基。
• US4335117A
  申请人：——

  公开号：US4335117A

  公开（公告）日：1982-06-15
• US8097722B2
  申请人：——

  公开号：US8097722B2

  公开（公告）日：2012-01-17
• The Preparation and Properties of Some α-Acyloxy- and α-Carbamoyloxy-Phosphonothionates
  作者：Harry R. Hudson、Zsuzsa M. Jászay、Max Pianka

  DOI：10.1080/10426500307878

  日期：2003.7

  New alpha-acyloxy and alpha-carbamoyloxy derivatives of dimethyl 2,2,2-trichloroethyl-phosphonothionate have been prepared, characterized, and screened for activity against free-living soil nematodes. Several of the more easily hydrolysable esters, and also the N-methylcarbamoyl derivative, were as active as the parent pesticide, dimethyl alpha-hydroxy-2, 2,2-trichloroethylphosphonothionate, after an induction period during which the active species is assumed to be released in vivo. It is concluded that the 2,2,2-trichloroethyl group is essential for activity in compounds of these types and that the presence of the N-methylcarbamoyl group does not in itself confer activity.