4-chlorophenyl cyanate | 1124-59-0

• 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: 4-chlorophenyl cyanate
• 英文别名: 4-Chlorphenylcyanat；p-Chlorphenylcyanat；(4-chlorophenyl) cyanate
• CAS: 1124-59-0
• 化学式: C₇H₄ClNO
• 分子量: 153.568
• InChiKey: BDVNNPOIBWADPU-UHFFFAOYSA-N

物化性质

• 熔点：
  38-39 °C
• 沸点：
  100-101 °C(Press: 10 Torr)
• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2929909090

反应信息

• 作为反应物：
  描述：

  4-chlorophenyl cyanate 在 硫化氢 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以4.7 g的产率得到O-(4-chlorophenyl) thiocarbamate
  参考文献：
  名称：

  Synthesis and structure of substituted 5-phenoxy-1,2,4-dithiazole-3-ones

  摘要：

  AbstractSeven new substituted 5‐phenoxy‐1,2,4‐dithiazole‐3‐ones were prepared in modest yield (53–76%) from corresponding O‐phenyl thiocarbamates and chlorocarbonylsulfenyl chloride in dry ether at −10 °C. All of the compounds were characterized by NMR and elemental analysis and some of them by X‐ray diffraction. Preliminary kinetic measurements showed that the parent 5‐phenoxy‐1,2,4‐dithiazole‐3‐one is a very efficient sulfurizing agent toward triphenyl phosphite. J. Heterocyclic Chem., (2011)

  DOI：

  10.1002/jhet.717
• 作为产物：
  描述：

  5-(4-chlorophenyloxy)-1,2,3,4-thiatriazole 在 顺-环辛烯 作用下， 以 氘代氯仿 为溶剂， 生成 4-chlorophenyl cyanate
  参考文献：
  名称：

  Episulfidation of Strained Cycloalkenes in the Thermolysis of 5-Aryloxy-1,2,3,4-thiatriazoles

  摘要：

  DOI：

  10.1002/1099-0690(200105)2001:10<1959::aid-ejoc1959>3.3.co;2-e

文献信息

• Oxidative rearrangement strategy for synthesis of 2,4,5-trisubstituted oxazoles utilizing hypervalent iodine reagent
  作者：Qing Liu、Xiaohui Zhang、Yang He、Muhammad Ijaz Hussain、Wen Hu、Yan Xiong、Xiangming Zhu

  DOI：10.1016/j.tet.2016.07.082

  日期：2016.9

  iodine (III)-intermediated direct oxidative rearrangement of 3-hydroxybut-2-enimidates affording oxazoles under mild conditions has been developed. This protocol provides a new methodology to the synthesis of compounds containing oxazole structure.

  已经开发了在温和条件下提供恶唑的3-羟基丁-2-亚氨基酸酯的高价碘（III）介导的直接氧化重排。该方案为合成含恶唑结构的化合物提供了一种新的方法。
• Compositions and Methods for Controlling Nematodes
  申请人：Slomczynska Urszula

  公开号：US20100210849A1

  公开（公告）日：2010-08-19

  Compositions and processes for controlling nematodes are described herein, e.g., nematodes that infest plants or animals. The compounds include oxazoles, oxadiazoles and thiadiazoles.

  本文描述了用于控制线虫的组合物和过程，例如侵害植物或动物的线虫。这些化合物包括噁唑、噁二唑和硫代噁二唑。
• USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY
  申请人：THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION

  公开号：US20210022340A1

  公开（公告）日：2021-01-28

  The present invention relates to use of a pyridine urea compound having snail-killing activities, and relates to a method for preparing the pyridine urea compound. In particular, the present invention discloses a compound having the structure as shown in formula (I), an optical isomer thereof, a racemate thereof, a solvate thereof, or a pharmaceutically acceptable salt thereof, the compound having a significant killing effect on various snails as parasitic disease vectors and low toxicity to non-target organism fish.

  本发明涉及使用具有杀螺活性的吡啶脲化合物，并涉及制备该吡啶脲化合物的方法。具体而言，本发明揭示了具有如化学式（I）所示结构的化合物，其光学异构体、外消旋体、溶剂合物或药用可接受盐，该化合物对各种蜗牛作为寄生疾病传播媒介具有显著的杀灭效果，并对非靶标生物鱼类具有低毒性。
• An Atom‐Economical Approach to 2‐Aryloxypyridines and 2,2′/2,3′‐Diaryloxybipyridines <i>via</i> Ruthenium‐Catalyzed [2+2+2] Cycloadditions
  作者：Pratibha Kalaramna、Divya Bhatt、Himanshu Sharma、Avijit Goswami

  DOI：10.1002/adsc.201900553

  日期：2019.9.17

  solvent‐free approach for the synthesis of 2‐aryloxypyridines with good to excellent yields has been developed by the reaction of 1,6‐diynes with aryl cyanates. This atom‐economical catalytic strategy offers a mild and practical approach to access a variety of such cycloadducts with excellent regioselectivities. The protocol was further extended to the synthesis of 2,2′‐ and 2,3′‐diaryloxybipyridines by the

  通过1,6-二炔与氰酸芳基酯的反应，已经开发出了一种高效的，钌（II）催化，无溶剂的合成2-芳氧基吡啶的方法，其收率良好至极好。这种原子经济的催化策略提供了一种温和而实用的方法，可访问多种具有出色区域选择性的此类环加合物。通过四炔与氰酸芳基酯的反应，该方案进一步扩展到2,2'-和2,3'-二芳氧基联吡啶的合成。
• CoFe₂O₄ Nanoparticles as a Magnetically Recoverable and Reusable Catalyst for the Synthesis of Arylaminotetrazoles and 5-aryloxytetrazoles
  作者：Siavash Bahari、Akbar Rezaei

  DOI：10.3184/174751914x13871210981307

  日期：2014.2

  An efficient and direct method is described for the synthesis of 5-arylamino-1 H-tetrazoles (Isomer A) or 1-aryl-5-amino-1 H-tetrazoles (Isomer B) and 5-aryloxytetrazoles from arylcyanamides or cynates with nano CoFe₂O₄ as a reusable and efficient heterogeneous catalyst. Isomer A was obtained from arylcyanamides carrying electron-withdrawing substituents on the aryl ring, while isomer B was produced with electron-releasing groups. The significant advantages of this methodology are high yields, elimination of dangerous and harmful hydrazoic acid, simple work-up procedure and the recovery and reusability of the catalyst.

  以纳米 CoFe2O4 作为可重复使用的高效异相催化剂，描述了一种从芳基氰化物或犬牙交错化合物合成 5-芳基氨基-1H-四唑（异构体 A）或 1-芳基-5-氨基-1H-四唑（异构体 B）和 5-芳氧基四唑的高效直接方法。异构体 A 是由芳基环上带有电子吸收取代基的芳基氰化物制得的，而异构体 B 则是由电子释放基团制得的。这种方法的显著优点是产率高、无需使用危险和有害的苯甲酸、操作步骤简单以及催化剂可回收和重复使用。

表征谱图