2-Fluoro-1-isothiocyanato-4-methyl-benzene | 864350-17-4

• 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-Fluoro-1-isothiocyanato-4-methyl-benzene
• 英文别名: 2-Fluoro-4-methylphenyl isothiocyanate；2-fluoro-1-isothiocyanato-4-methylbenzene
• CAS: 864350-17-4
• 化学式: C₈H₆FNS
• 分子量: 167.207
• InChiKey: YIAWVEYKLJFZBS-UHFFFAOYSA-N

物化性质

• 沸点：
  248.4±33.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 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：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-Fluoro-1-isothiocyanato-4-methyl-benzene 、 3-methyl-5-nitro-3H-imidazole-4-carboxylic acid hydrazide 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Hetaryl imidazoles: A novel dual inhibitors of VEGF receptors I and II

  摘要：

  A novel potent derivatives of hetaryl imidazoles were described as inhibitors of vascular endothelial growth factor receptor II (VEGFR-2). Several compounds display VEGFR-2 inhibitory activity reaching IC50 < 100 nM in both enzymatic and cellular assays, The compounds also inhibit the related tyrosine kinase, VEGFR-1. By controlling the substitution pattern on the 5-carboxamido functionality, both dual and specific VEGFR-2 thiazoles were identified. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.033
• 作为产物：
  描述：

  2-氟-4-甲基苯胺 在 三光气 作用下， 以 氯仿 、 丙酮 为溶剂， 反应 16.5h， 生成 2-Fluoro-1-isothiocyanato-4-methyl-benzene
  参考文献：
  名称：

  Design, synthesis, and nematicidal activities of novel 1,3-thiazin(thiazol)-4-one derivatives against Meloidogyne incognita

  摘要：

  Four series of novel 1,3-thiazin(thiazol)-4-one derivatives were synthesized by Suzuki coupling. Preliminary bioassays showed that most of the synthesized compounds exhibited good inhibitory activity in vivo against root-knot nematodes, Meloidogyne spp. at 20 mg L⁻¹. Among the tested compounds, we found that two compounds displayed 46.4% and 41.4% inhibitory activity even at 1 mg L⁻¹, respectively.

  DOI：

  10.1177/1747519819857506

文献信息

• [EN] QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DÉRIVÉS DE QUINAZOLINONE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2012087938A1

  公开（公告）日：2012-06-28

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the Flaviviridae family of viruses such as hepatitis C virus (HCV).

  提供了化合物及其药用盐，它们的药物组合物，它们的制备方法，以及它们用于治疗由黄病毒科（Flaviviridae）家族成员介导的病毒感染，如丙型肝炎病毒（HCV）的用途。
• Novel benzothiazepine and bensothiepine compounds
  申请人：Sasahara Takehiko

  公开号：US20070190041A1

  公开（公告）日：2007-08-16

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substitutent:

  提供了一种药物，可用作治疗和预防高脂血症的治疗剂和预防剂，以及一种药物，可用作治疗和预防与胆汁淤积有关的肝脏疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的治疗剂和预防剂，以及一种药物，可用作治疗和预防肥胖症、脂肪肝和脂肪性肝炎的治疗剂和预防剂。化合物的苯并噻吩或苯并噻环代表如下式（1A），具有硫酰胺键和季铵取代基：
• Benzothiazepine and benzothiepine compounds
  申请人：Asahi Kasei Pharma Corporation

  公开号：US07973030B2

  公开（公告）日：2011-07-05

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substitutent:

  提供一种作为治疗剂和预防剂用于高脂血症的药物，以及一种作为治疗剂和预防剂用于与胆汁淤积相关的肝疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的药物，以及一种作为治疗剂和预防剂用于肥胖症、脂肪肝和脂肪性肝炎的药物。该药物是一种具有硫酰胺键和季铵取代基的苯并噻吩或苯并噻烯化合物，其化学式为（1A）。
• NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1719768B1

  公开（公告）日：2012-04-25
• US7973030B2
  申请人：——

  公开号：US7973030B2

  公开（公告）日：2011-07-05