5-chloro-2-phenethyl-isothiazol-3-one | 33311-85-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 5-chloro-2-phenethyl-isothiazol-3-one
• 英文别名: 5-chloro-2-phenethyl-4-isothiazolin-3-one；5-chloro-2-(2-phenylethyl)-1,2-thiazol-3-one
• CAS: 33311-85-2
• 化学式: C₁₁H₁₀ClNOS
• 分子量: 239.725
• InChiKey: OHSSOMDKTAJTLR-UHFFFAOYSA-N

物化性质

• 沸点：
  357.4±52.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-chloro-2-phenethyl-isothiazol-3-one 、 四丁基溴化铵 以 氯仿 、 水 为溶剂， 生成 5-Cyano-2-phenethyl-4-isothiazolin-3-one
  参考文献：
  名称：

  3-Isothiazolones as biocides

  摘要：

  披露了一种新型的取代3-异噻唑酮，其盐，金属配合物，它们的制备，含有它们的农业组合物以及它们在控制生物体中的利用。具体来说，披露了新型的5-(取代硫代氨基甲酰)硫代-2-取代-4-异噻唑酮-3-酮及相关化合物，包括5-哌啶基和5-氰基衍生物。

  公开号：

  US04310590A1
• 作为产物：
  描述：

  3,3'-disulfanediylbis(N-phenethylpropanamide) 在 磺酰氯 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 5-chloro-2-phenethyl-isothiazol-3-one
  参考文献：
  名称：

  Lewis,S.N. et al., Journal of Heterocyclic Chemistry, 1971, vol. 8, p. 571 - 580

  摘要：

  DOI：

文献信息

• [EN] CB1 MODULATOR COMPOUNDS<br/>[FR] COMPOSES MODULATEURS DE CB1
  申请人：LILLY CO ELI

  公开号：WO2005066126A1

  公开（公告）日：2005-07-21

  Novel compounds of structural formula (I) are disclosed. As modulators of the Cannabinoid-1 (CB1) receptor, these compounds are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. As such, compounds of the present invention are useful as in the treatment, prevention and suppression of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders (e.g., multiple sclerosis, Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis), cerebral vascular accidents, head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, particularly to opiates, alcohol, and nicotine. The compounds are also useful for the treatment of obesity or eating disorders associated with excessive food intake and complications associated therewith.

  结构式（I）的新化合物已被披露。作为大麻素-1（CB1）受体的调节剂，这些化合物在治疗、预防和抑制由CB1受体介导的疾病方面是有用的。因此，本发明的化合物在治疗、预防和抑制精神病、记忆缺陷、认知障碍、偏头痛、神经病、神经炎性疾病（例如多发性硬化症、吉兰-巴雷综合征和病毒性脑炎的炎症后遗症）、脑血管意外、头部创伤、焦虑症、压力、癫痫、帕金森病和精神分裂症方面是有用的。这些化合物还可用于治疗物质滥用障碍，特别是对阿片类药物、酒精和尼古丁的治疗。这些化合物还可用于治疗与过度食物摄入及相关并发症相关的肥胖症或进食障碍。
• Substituted 3-isothiazolones, salts and metal salt complexes thereof, compositions containing them and their use for combating bacteria, algae and fungi
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0031705A1

  公开（公告）日：1981-07-08

  The novel compounds, which exhibit activity as bactericides and fungicides, are compounds of Formula I below, or salts or metal salt complexes thereof, wherein R' is (C1-C8) alkyl, (C3-C6) cycloalkyl, phenyl-(C1-C4) alkyl or phenyl optionally substituted with up to 3 of the same or different halogen atoms; R2 is hydrogen, halogen or (C1-C4) alkyl; and R3 is cyano, a group of the formula or a group of the formula in which Z is (-CH2-)n n being an integer of 4 to 6 and R4 and R5, which may be the same or different, is each selected from (C1-C8) alkyl and phenyl (C1-C4) alkyl or R4 and R5 are joined to form, together with the nitrogen atom to which thev are attached, a group of the formula in which Z is as defined above.

  具有杀菌剂和杀真菌剂活性的新型化合物是下式 I 的化合物或其盐或金属盐复合物、 其中 R'是(C1-C8)烷基、(C3-C6)环烷基、苯基-(C1-C4)烷基或任选被最多 3 个相同或不同的卤素原子取代的苯基；R2 是氢、卤素或(C1-C4)烷基；R3 是氰基、式中的基团 或式 其中 Z 为 (-CH2-)n n 为 4-6 的整数，R4 和 R5（可以相同或不同）各自选自 (C1-C8) 烷基和苯基 (C1-C4) 烷基，或 R4 和 R5 连接，与所连接的氮原子一起形成一个式基团。 其中 Z 如上定义。
• Mildew resistant paint compositions
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0408215A1

  公开（公告）日：1991-01-16

  A mildew-resistant paint composition comprising a film-forming, non-­wood penetrating organic polymeric paint vehicle; an isothiazolone mildewcide compound; and a stabilizing amount of a water insoluble organic soluble copper compound; and methods of stabilizing isothiazolones in paint compositions are disclosed.

  本发明公开了一种防霉涂料组合物，该组合物包含一种成膜、非木材渗透性有机聚合物涂料载体；一种异噻唑啉酮类防霉剂化合物；以及一种不溶于水的有机可溶性铜化合物的稳定剂；并公开了在涂料组合物中稳定异噻唑啉酮类化合物的方法。
• Aqueous dispersion for chemical mechanical polishing
  申请人：JSR Corporation

  公开号：EP1357161A2

  公开（公告）日：2003-10-29

  The invention provides an aqueous dispersion for chemical mechanical polishing that is hard to putrefy, scarcely causes scratches, causes only small dishing and is suitable for used in a micro isolating step or a planarizing step of an inter layer dielectric in production of semiconductor devices. The aqueous dispersion for chemical mechanical polishing comprises ceria particles, a preservative composed of a compound having a heterocyclic structure containing a nitrogen atom and a sulfur atom in the ring, such as an isothiazolone compound, and an organic component such as organic abrasive grains composed of resin particles, a dispersing agent composed of a water-soluble polymer having a specific molecular weight or the like, a surfactant and/or an organic acid or a salt thereof contained in an aqueous medium. The ceria particles, preservative and organic component are contained in proportions of 0.1 to 20 % by mass, 0.001 to 0.2 % by mass and 0.1 to 30 % by mass, respectively, when the total proportion of the aqueous medium, ceria particles, preservative and organic component is 100 % by mass. The pH of this aqueous dispersion can be kept in a neutral range.

  本发明提供了一种用于化学机械抛光的水性分散液，该分散液不易腐化，几乎不会造成划痕，仅会引起微小的凹凸不平，适用于半导体器件生产中层间电介质的微隔离步骤或平面化步骤。 用于化学机械抛光的水性分散液包括铈颗粒、由具有杂环结构的化合物组成的防腐剂，该化合物在环中含有一个氮原子和一个硫原子，例如异噻唑酮化合物；以及有机成分，例如由树脂颗粒组成的有机磨粒、由具有特定分子量的水溶性聚合物或类似物组成的分散剂、表面活性剂和/或有机酸或其在水性介质中的盐。当水介质、铈颗粒、防腐剂和有机成分的总比例为 100%时，铈颗粒、防腐剂和有机成分的质量比例分别为 0.1%至 20%、0.001%至 0.2%和 0.1%至 30%。该水分散液的 pH 值可保持在中性范围内。
• Stabilized coating compositions containing isothiazolone
  申请人：ROHM AND HAAS COMPANY

  公开号：EP1369461A1

  公开（公告）日：2003-12-10

  High pH aqueous coating compositions containing 3-isothiazolone microbicide that have been stabilized against the degradation of the 3-isothiazolone by the addition of low levels of copper ion are disclosed. In particular, aqueous paint compositions containing pH-adjusting amine compounds, where the pH is above 9.5, are effectively stabilized when 1 to 200 ppm of copper ion is added to the paint composition before the 3-isothiazolone is combined with other paint components or if copper ion is added together with the 3-isothiazolone to the remaining paint components or if the 3-isothiazolone is added no more than 1 hour before copper ion is added to the composition.

  本发明公开了含有 3-异噻唑啉酮杀微生物剂的高 pH 值水性涂料组合物，通过添加低含量的铜离子，可稳定 3-异噻唑啉酮的降解。特别是含有 pH 值调节胺化合物的水性涂料组合物，当 pH 值高于 9.5 时，在 3-异噻唑啉酮与其他涂料成分混合之前，向涂料组合物中加入 1 至 200 ppm 的铜离子，或在向其余涂料成分中加入 3-异噻唑啉酮的同时加入铜离子，或在向组合物中加入铜离子不超过 1 小时之前加入 3-异噻唑啉酮，可有效稳定涂料组合物。