1-chloro-2-isothiocyanato-4-methyl-benzene | 52747-70-3

• 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: 1-chloro-2-isothiocyanato-4-methyl-benzene
• 英文别名: 2-chloro-5-methyl-phenyl isothiocyanate；2-Chlor-5-methyl-phenylisothiocyanat；6-Chlor-3-methyl-phenylsenfoel；1-Chloro-2-isothiocyanato-4-methylbenzene
• CAS: 52747-70-3
• 化学式: C₈H₆ClNS
• 分子量: 183.661
• InChiKey: UTIJPISSCPYYOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 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-chloro-2-isothiocyanato-4-methyl-benzene 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 (2-Chloro-5-methyl-phenyl)-[5-(3,5-dichloro-benzo[b]thiophen-2-yl)-[1,3,4]thiadiazol-2-yl]-amine
  参考文献：
  名称：

  Thaker; Joshi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 2, p. 410 - 412

  摘要：

  DOI：
• 作为产物：
  描述：

  硫光气 、 2-氯-5-甲基苯胺 在 水 作用下， 生成 1-chloro-2-isothiocyanato-4-methyl-benzene
  参考文献：
  名称：

  Dyson, Perfumery and Essential Oil Record, vol. 19, p. 173

  摘要：

  DOI：

文献信息

• Tricyclic Compounds As mPGES-1 Inhibitors
  申请人：Gharat Laxmikant A.

  公开号：US20120108583A1

  公开（公告）日：2012-05-03

  The present invention relates to tricyclic compounds of formula (I) or pharmaceutically acceptable salt thereof as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本发明涉及式(I)的三环化合物或其药用可接受的盐作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗各种疾病或病况引起的疼痛和/或炎症方面具有用处，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。
• Process for the preparation of s-triazolo[3,4-b]benzothiazoles
  申请人：Eli Lilly and Company

  公开号：US03937713A1

  公开（公告）日：1976-02-10

  A novel process for the preparation of s-triazolo[3,4-b]benzothiazole compounds comprises reacting a molar equivalent of base in an amide solvent at a temperature from 60.degree.C. to 200.degree.C. with (a) a 1-acyl-4-(o-halophenyl)thiosemicarbazide compound or (b) a 4-(o-halophenyl)-1,2,4-triazole-3-thiol compound and recovering the product. The s-triazolo[3,4-b]benzothiazole compounds are useful for the control of plant pathogens.

  一种制备s-三唑并[3,4-b]苯并噻唑化合物的新工艺，包括在酰胺溶剂中以60°C至200°C的温度反应一个摩尔当量的碱和（a）1-酰基-4-(o-卤苯基)硫脲化合物或（b）4-(o-卤苯基)-1,2,4-三唑-3-硫醇化合物，并回收产物。s-三唑并[3,4-b]苯并噻唑化合物对于植物病原体的控制具有用处。
• 4-(2-Halophenyl)-1,2,4-triazole-3-thiol compounds
  申请人：Eli Lilly and Company

  公开号：US04082762A1

  公开（公告）日：1978-04-04

  A novel process for the preparation of s-triazolo-[3,4-b]benzothiazole compounds comprises reacting a molar equivalent of base in an amide solvent at a temperature from 60.degree. C. to 200.degree. C. with (a) a 1-acyl-4-(o-halophenyl)thiosemicarbazide compound or (b) a 4-(o-halophenyl)-1,2,4-triazole-3-thiol compound and recovering the product. The s-triazolo [3,4-b]benzothiazole compounds are useful for the control of plant pathogens.

  一种新的制备s-三唑并[3,4-b]苯并噻唑化合物的方法包括在酰胺溶剂中使用等摩尔的碱在60℃至200℃的温度下与(a) 1-酰基-4-(o-卤苯基)硫脲化合物或(b) 4-(o-卤苯基)-1,2,4-三唑-3-硫醇化合物反应，并回收产物。s-三唑并[3,4-b]苯并噻唑化合物可用于植物病原体的控制。
• 1-Acyl-4-substituted phenyl thiosemicarbazides
  申请人：Eli Lilly and Company

  公开号：US04134914A1

  公开（公告）日：1979-01-16

  A novel process for the preparation of s-triazolo[3,4-b]benzothiazole compounds comprises reacting a molar equivalent of base in an amide solvent at a temperature from 60.degree. C. to 200.degree. C. with (a) a 1-acyl-4-(o-halophenyl)thiosemicarbazide compound or (b) a 4-(o-halophenyl)-1,2,4-triazole-3-thiol compound and recovering the product. The s-triazolo[3,4-b]benzothiazole compounds are useful for the control of plant pathogens.

  一种制备s-三唑并[3,4-b]苯并噻唑化合物的新工艺，包括在酰胺溶剂中以60℃至200℃的温度，将等摩尔的碱与(a) 1-酰基-4-(o-卤代苯基)硫脲化合物或(b) 4-(o-卤代苯基)-1,2,4-三唑-3-硫醇化合物反应，并回收产物。s-三唑并[3,4-b]苯并噻唑化合物可用于植物病原体的控制。
• SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE
  申请人：Costales Abran

  公开号：US20130224195A1

  公开（公告）日：2013-08-29

  New substituted benzazole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的取代苯并咪唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用或与至少一种额外的药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。