1-isothiocyanato-2,3-dihydro-1H-indene | 71492-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1-isothiocyanato-2,3-dihydro-1H-indene
• CAS: 71492-66-5
• 化学式: C₁₀H₉NS
• mdl: MFCD12401866
• 分子量: 175.254
• InChiKey: YQGGEOQEFFXRLO-UHFFFAOYSA-N

物化性质

• 沸点：
  309.5±22.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-isothiocyanato-2,3-dihydro-1H-indene 在 甲苯-3,4-二硫酚 作用下， 以 甲醇 为溶剂， 以71%的产率得到1-氨基茚满
  参考文献：
  名称：

  Alkyl and aryl isothiocyanates as masked primary amines

  摘要：

  Primary and secondary (but not tertiary) alkyl as well as aryl isothiocyanates react rapidly with 4-methyl-1,2-benzenedithiol (1) in methanol at room temperature, releasing the corresponding amines in good yields. This mild and simple procedure for unmasking amines proceeds chemospecifically with isothiocyanates even in the presence of such normally electrophilic and reactive functionalities as carboxylate ester and N-alkylphthalimide.

  DOI：

  10.1016/s0040-4039(00)92512-7
• 作为产物：
  描述：

  trans-2-Jod-1-isothiocyanatoindan 在 三正丁基氢锡 作用下， 以 乙醚 为溶剂， 生成 1-isothiocyanato-2,3-dihydro-1H-indene
  参考文献：
  名称：

  Cambie,R.C. et al., Journal of the Chemical Society. Perkin transactions I, 1979, p. 765 - 770

  摘要：

  DOI：

文献信息

• 5-SUBSTITUTED BENZOXAZINES
  申请人：Kolczewski Sabine

  公开号：US20100063042A1

  公开（公告）日：2010-03-11

  The present invention is concerned with 5-substituted benzoxazine derivatives of formula (I) wherein X, R 1 and R 2 are as described herein, as well as their manufacture, pharmaceutical compositions containing them. Compounds of the present invention are 5-HT 5A receptor antagonists, and are useful in the prevention and/or treatment of depression, anxiety disorders, schizophrenia, panic disorders, agoraphobia, social phobia, obsessive compulsive disorders, post-traumatic stress disorders, pain, memory disorders, dementia, disorders of eating behaviors, sexual dysfunction, sleep disorders, abuse of drugs, motor disorders such as Parkinson's disease, psychiatric disorders or gastrointestinal disorders.

  本发明涉及式(I)的5-取代苯并噁嗪衍生物，其中X、R1和R2如本文所述，以及它们的制备、含有它们的药物组合物。本发明的化合物是5-HT5A受体拮抗剂，可用于预防和/或治疗抑郁症、焦虑障碍、精神分裂症、恐慌障碍、广场恐惧症、社交恐惧症、强迫症、创伤后应激障碍、疼痛、记忆障碍、痴呆症、进食行为障碍、性功能障碍、睡眠障碍、药物滥用、帕金森病等运动障碍、精神障碍或胃肠道障碍的治疗。
• Electrochemical Benzylic C(sp³)–H Isothiocyanation
  作者：Shanxue Zhang、Yufeng Li、Tao Wang、Ming Li、Lirong Wen、Weisi Guo

  DOI：10.1021/acs.orglett.2c00415

  日期：2022.3.4

  Selective C(sp3)–H isothiocyanation represents a significant strategy for the synthesis of isothiocyanate derivatives. We report herein an electrochemical benzylic isothiocyanation in a highly chemo- and site-selective manner under external oxidant-free conditions. The high chemoselectivity is attributed to the facile in situ isomerization of benzylic thiocyanates to isothiocyanates. Notably, the method

  选择性 C(sp 3 )-H 异硫氰化代表了合成异硫氰酸酯衍生物的重要策略。我们在此报告了在外部无氧化剂条件下以高度化学和位点选择性方式进行的电化学苄基异硫氰化反应。高化学选择性归因于苄基硫氰酸酯容易原位异构化为异硫氰酸酯。值得注意的是，该方法具有较高的官能团相容性，适用于生物活性分子的后期功能化。
• CHEMICAL COMPOUNDS
  申请人：Schaetzer Juergen Harry

  公开号：US20100048699A1

  公开（公告）日：2010-02-25

  A compound of formula I where the substituents have the meanings assigned to them in claim 1 , compositions comprising a compound of formula (I) and the use of such compounds and/or compositions controlling insects, acarines, nematodes or molluscs.

  一种化合物I的公式，其中取代基具有在权利要求1中分配给它们的含义，包括化合物(I)的组合物以及使用这种化合物和/或组合物控制昆虫、螨、线虫或软体动物。
• Indanyl- and Tetrahydronaphthyl-Amino-Azoline Compounds for Combating Animal Pests
  申请人：Kordes Markus

  公开号：US20080293569A1

  公开（公告）日：2008-11-27

  The present invention relates to Indanyl- and Tetrahydronaphthyl-amino-azoline compounds of formula I wherein the variables R 1 and R 2 are as defined in description. The invention relates also to methods of combating or controlling insects, arachnids or nematodes, to methods for protecting growing plants from attack or infestation by insects, arachnids or nematodes, to methods for the protection of seeds from soil insects and of the seedlings' roots and shoots from soil and foliar insects and to methods for treating, controlling, preventing or protecting animals against infestation or infection by parasites.

  本发明涉及公式I的Indanyl和Tetrahydronaphthyl-amino-azoline化合物，其中变量R1和R2如描述中所定义。本发明还涉及用于对抗或控制昆虫、蜘蛛或线虫的方法，用于保护生长中的植物免受昆虫、蜘蛛或线虫的攻击或侵染的方法，用于保护种子免受土壤昆虫和幼苗的根和茎免受土壤和叶面昆虫的侵染的方法，以及用于治疗、控制、预防或保护动物免受寄生虫感染或侵染的方法。
• Zinc-Catalyzed Markovnikov-Type Hydroisothiocyanation of Alkenes with Ammonium Thiocyanate
  作者：Nobukazu Taniguchi

  DOI：10.1055/a-1948-6798

  日期：2023.1

  A ZnI2-catalyzed addition of ammonium thiocyanate to olefins in the presence of 4-toluenesulfonic acid and tetrabutylammonium iodide has been developed. The reaction proceeds by a Markovnikov-type process and a radical isomerization, and gives the corresponding isothiocyanates selectively and in good yields.

  已经开发了在 4-甲苯磺酸和四丁基碘化铵存在下硫氰酸铵与烯烃的ZnI 2催化加成。该反应通过马尔科夫尼科夫型过程和自由基异构化进行，并选择性地以良好的收率得到相应的异硫氰酸酯。