2-<4-Chlor-phenyl>-oxazolidin | 52636-85-8

• 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: 2-<4-Chlor-phenyl>-oxazolidin
• 英文别名: 2-(4-chloro-phenyl)-oxazolidine；2-(p-chlorophenyl)oxazolidine；2-(4-Chlorophenyl)-1,3-oxazolidine
• CAS: 52636-85-8
• 化学式: C₉H₁₀ClNO
• 分子量: 183.637
• InChiKey: CCIILNOBNOHYOX-UHFFFAOYSA-N

物化性质

• 沸点：
  286.5±40.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-<4-Chlor-phenyl>-oxazolidin 在 碘苯二乙酸 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 4-氯苯基,4,5-二氢1,3恶唑烷
  参考文献：
  名称：

  使用（二乙酰氧基碘）苯将醛有效氧化转化为 2-取代的恶唑啉和恶嗪

  摘要：

  报道了使用（二乙酰氧基碘）苯作为氧化剂从醛和 2-氨基醇有效合成 2-取代的恶唑啉。（二乙酰氧基碘）苯作为一种温和的脱氢剂，将最初形成的恶唑烷从醛和 2-氨基醇转化为 2-取代的恶唑啉。类似地，3-氨基丙醇和醛得到相应的2-取代的恶嗪。

  DOI：

  10.1055/s-2007-982571
• 作为产物：
  描述：

  乙烯亚胺 、 4-氯苯甲醛 生成 2-<4-Chlor-phenyl>-oxazolidin
  参考文献：
  名称：

  Synthese einiger neuer N-substituierter 1-Amino-1-phenylalkane. 2. Mitteilung: 1-Oxazolidino-1-phenylalkane

  摘要：

  DOI：

  10.1002/ardp.19642970802

文献信息

• Fragment splicing-based design, synthesis and safener activity of novel substituted phenyl oxazole derivatives
  作者：Ying Fu、Dong Zhang、Tao Kang、You-Yuan Guo、Wen-Geng Chen、Shuang Gao、Fei Ye

  DOI：10.1016/j.bmcl.2018.12.061

  日期：2019.2

  Fragment splicing is a primary strategy in the design and optimization of leading compound toward new skeleton with target bioactivity. Herein a series of novel substituted phenyl oxazole derivatives were designed via fragment analysis and coupling strategy that led to highly potent and bio-selective herbicide safener. The biological tests showed that most of the compounds could enhance the maize growth

  片段剪接是设计和优化领先化合物朝向具有目标生物活性的新骨架的主要策略。在本文中，通过片段分析和偶联策略设计了一系列新颖的取代苯基恶唑衍生物，从而产生了高效且具有生物选择性的除草剂安全性。生物学测试表明，大多数化合物在体内均可提高玉米生长指数，谷胱甘肽含量和抗逆酶谷胱甘肽S-转移酶活性。分子对接模型表明，该新化合物可与氯磺隆竞争除草剂目标酶的结合，从而实现除草剂的解毒。尤其是化合物If表现出比商业上更安全的异恶二芬-乙基和其他化合物更好的活性。
• Haloacyl and thiohaloacyl aryl-substituted oxazolidines and
  申请人：Stauffer Chemical Company

  公开号：US04072688A1

  公开（公告）日：1978-02-07

  Haloacyl and thiohaloacyl aryl-substituted oxazolidines and thiazolidines useful as active antidotes against crop injury when used with various herbicides; herbicidal compositions and utility of various herbicides and aryl substituted oxazolidines and thiazolidines having the formula ##STR1## wherein X and Y are independently oxygen or sulfur; R is haloalkyl or chloroalkenyl; R.sub.1 is hydrogen, lower alkyl, phenyl, naphthyl, substituted phenyl wherein said substituents are monofluoro, mono- or di- chloro, nitro, methyl, methoxy, or hydroxyl; R.sub.2 is hydrogen or lower alkyl; R.sub.3 is hydrogen, lower alkyl, hydroxymethyl, N-methyl carbamoyloxymethyl or dichloroacetoxymethyl; R.sub.4 is hydrogen or lower alkyl; R.sub.5 is hydrogen, lower alkyl or phenyl; and R.sub.6 is hydrogen; provided that at least one of R.sub.1 or R.sub.5 is phenyl, substituted phenyl or naphthyl.

  Haloacyl和thiohaloacyl芳基取代的噁唑烷和噻唑烷，当与各种除草剂一起使用时，可用作有效的防治作物损伤的解毒剂；草甘膦组合物和具有以下式子的各种除草剂和芳基取代的噁唑烷和噻唑烷的实用性：##STR1## 其中X和Y独立地是氧或硫；R是卤代烷基或氯代烯基；R.sub.1是氢，低碳基，苯基，萘基，取代苯基，其中所述取代基是单氟，单或双氯，硝基，甲基，甲氧基或羟基；R.sub.2是氢或低碳基；R.sub.3是氢，低碳基，羟甲基，N-甲基氨基甲氧甲基或二氯乙酰氧甲基；R.sub.4是氢或低碳基；R.sub.5是氢，低碳基或苯基；R.sub.6是氢；但至少R.sub.1或R.sub.5之一是苯基，取代苯基或萘基。
• 5-Substituted oxazolidines having herbicide antidote activity, production thereof, herbicidal compositions containing them, use thereof in preventing injury to crops and crop seeds coated therewith
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0021759A1

  公开（公告）日：1981-01-07

  N-haloacyl oxazolidines substituted in the 5-position with oxy or thio containing groups of the formula A-Compounds: wherein XR, is phenoxy, R is selected from the group consisting of haloalkyl, where halo is chloro or bromo, and p-methyl phenylsulfonylamido; and R2 and R3 are independently selected from lower alkyl; B-Compounds: wherein X is selected from the group consisting of oxygen and sulfur; R1 is selected from the group consisting of alkyl and alkenyl; R is selected from the group consisting of haloalkyl, alkylthio and p-tolylsulfonamido; R and R3 are independently selected from the group consisting of hydrogen and lower alkyl, each having 1 to 3 carbon atoms, inclusive; provided that the carbon content of R, + R2 is less than or equal to 6 carbon atoms and further provided that when XR, is alkylthio, then R is other than haloalkyl having 3 to 4 carbon atoms inclusive, and provided that when XR1 is methoxy, R is other than 2,3-dibromopropyl; and in addition a compound selected from the group of compounds consisting of 2,2-dimethyl-3(3-bromopropionyl)5-pentoxymethyl oxazolidine; 2,2-dimethyl-3(5-chlorovaleryl)5-isopropoxymethyl oxazolidine; 2,2-dimethyl-3(5-chlorovaleryl)-5-allyloxymethyl oxazolidine; C-Compounds: wherein X is oxygen or sulfur and R is alkyl; R is selected from the group consisting of haloalkyl, and alkoxy carboalkyl; R2 is selected from the group consisting of phenyl, p-chlorophenyl and p-bromophenyl; and R, is selected from the group consisting of hydrogen and methyl. These new compounds have utility as active herbicidal antidotes to protect against and decrease crop injury when used with thiolcarbamate herbicides, and may be when applied in various ways to achieve this. These ways include soil treatment, seed treatment and in-furrow treatment. Improved herbicidal compositions comprising a first-part of one or more thiolcarbamate herbicides and a second part of an effective antidote compound therefor as defined above are disclosed.

  在 5 位被含氧或硫的基团取代的 N-卤代噁唑烷，其式如下 A-化合物：其中 XR 是苯氧基，R 选自由卤代烷基（其中卤代是氯或溴）和对甲基苯磺酰氨基组成的组；以及 R2 和 R3 独立地选自由低级烷基； B-化合物：其中 X 选自由氧和硫组成的组；R1 选自由烷基（其中卤代是氯或溴）和对甲基苯磺酰氨基组成的组；以及 R2 和 R3 独立地选自由低级烷基：其中 X 选自由氧和硫组成的组；R1 选自由烷基和烯基组成的组；R 选自由卤代烷基、烷硫基和对甲苯磺酰胺组成的组；R 和 R3 独立选自由氢和低级烷基组成的组，每个低级烷基具有 1 至 3 个碳原子（包括 3 个）；条件是 R、+R2 的碳含量小于或等于 6 个碳原子，而且当 XR 为烷硫基时，R 不是具有 3 至 4 个碳原子（包括 3 至 4 个碳原子）的卤代烷基，当 XR1 为甲氧基时，R 不是 2,3-二溴丙基；此外，选自以下化合物组的化合物：2,2-二甲基-3(3-溴丙酰基)-5-戊氧基甲基噁唑烷；2,2-二甲基-3(5-氯戊酰基)-5-异丙氧基甲基噁唑烷；2,2-二甲基-3(5-氯戊酰基)-5-烯丙氧基甲基噁唑烷；C-化合物：其中 X 为氧或硫，R 为烷基； R 选自卤代烷基和烷氧基羧基；R2 选自苯基、对氯苯基和对溴苯基；R 选自氢和甲基。这些新化合物可作为活性除草解毒剂，与硫代氨基甲酸酯类除草剂一起使用时，可防止和减少作物伤害，并可通过各种方法实现这一目的。这些方法包括土壤处理、种子处理和垄内处理。本发明公开了改进的除草组合物，其第一部分包含一种或多种硫代氨基甲酸酯除草剂，第二部分包含上文定义的有效解毒剂化合物。
• US3943143A
  申请人：——

  公开号：US3943143A

  公开（公告）日：1976-03-09
• US3976648A
  申请人：——

  公开号：US3976648A

  公开（公告）日：1976-08-24