(2,4-二氟-5-甲基苯基)甲醇 | 315204-46-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2,4-二氟-5-甲基苯基)甲醇
• 英文名称: (2,4-difluoro-5-methyl-phenyl)-methanol
• 英文别名: (2,4-Difluoro-5-methylphenyl)methanol
• CAS: 315204-46-7
• 化学式: C₈H₈F₂O
• 分子量: 158.148
• InChiKey: NDVLGPFATXCWGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  213.7±35.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  (2,4-二氟-5-甲基苯基)甲醇 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到1-(bromomethyl)-2,4-difluoro-5-methylbenzene
  参考文献：
  名称：

  Syntheses of 1-[(2-Hydroxyethoxy)methyl]- and 1-[(1,3-Dihydroxy-2-Propoxy)methyl]- Derivatives of 5-Substituted-2,4-difluorobenzene: Unnatural Acyclo Thymidine Mimics for Evaluation as Anticancer and Antiviral Agents

  摘要：

  A group of 1 -[(2-hydroxyethoxy)methyl] - (12) and 1-[(1,3-dihydroxy-2-propoxy)methyl]- (13) derivatives of 2,4-difluorobenzene possessing a variety of C-5 substituents (R = Me, H, I, NO(2)) were designed with the expectation that they may serve as acyclic 5-substituted-2'-deoxyuridine (thymidine) mimics. Compounds 12 and 13 (R= Me, H, I) were inactive as anticancer agents (CC(50) = 10(-3) to 10(-4) M range), whereas the 5-nitro compounds (12d, 13d) exhibided weak-to-moderate cytotoxicity (ICC(50) = 10(-5) to 10(-6) M range) against a variety of cancer cell lines. All compounds prepared (12a-d, 13a-d) were inactive as antiviral agents in a broad-spectrum antiviral screen that also included the human immunodeficiency virus (HIV-1 and HIV-2) and herpes simplex virus(HSV-1 and HSV-2).

  DOI：

  10.1080/15257770008033850
• 作为产物：
  描述：

  2,4-二氟-5-甲基苯甲酸 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 (2,4-二氟-5-甲基苯基)甲醇
  参考文献：
  名称：

  SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS

  摘要：

  本公开提供了在治疗p38激酶介导的疾病（如淋巴瘤和炎症性疾病）中有用的嘧啶酮-苯基-嘧啶基化合物，其具有如下式（I）的结构： 其中R1、R2、R3、R4和R5如详细描述中所定义；包括至少一种该化合物的药物组合物；以及使用该化合物治疗p38激酶介导的疾病的方法。

  公开号：

  US20130143906A1

文献信息

• Substituted pyrimidinone-phenyl-pyrimidinyl compounds
  申请人：Confluence Life Sciences, Inc.

  公开号：US09056110B2

  公开（公告）日：2015-06-16

  The present disclosure provides pyrimidinone-phenyl-pyrimidinyl compounds useful in the treatment of p38 kinase mediated diseases, such as lymphoma and inflammatory disease, having the structure of Formula (I): wherein R1, R2, R3, R4 and R5 are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating p38 kinase mediated diseases using the compound.

  本公开提供了一种在治疗p38激酶介导的疾病，如淋巴瘤和炎症性疾病中有用的嘧啶酮-苯基-嘧啶基化合物，其具有以下结构式（I）：其中R1、R2、R3、R4和R5如详细说明中定义；包含至少一种该化合物的制药组合物；以及使用该化合物治疗p38激酶介导的疾病的方法。
• US9040693B2
  申请人：——

  公开号：US9040693B2

  公开（公告）日：2015-05-26
• US9056110B2
  申请人：——

  公开号：US9056110B2

  公开（公告）日：2015-06-16
• [EN] SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIMIDINONE-PHÉNYL-PYRIMIDINYLE SUBSTITUÉS
  申请人：CONFLUENCE LIFE SCIENCES INC

  公开号：WO2013086208A1

  公开（公告）日：2013-06-13

  The present disclosure provides pyrimidinone-phenyl-pyrimidinyl compounds useful in the treatment of p38 kinase mediated diseases, such as lymphoma and inflammatory disease, having the structure of Formula (I): wherein R1, R2, R3, R4 and R5 are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating p38 kinase mediated diseases using the compound.
• SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS
  申请人：CONFLUENCE LIFE SCIENCES, INC.

  公开号：US20130143906A1

  公开（公告）日：2013-06-06

  The present disclosure provides pyrimidinone-phenyl-pyrimidinyl compounds useful in the treatment of p38 kinase mediated diseases, such as lymphoma and inflammatory disease, having the structure of Formula (I): wherein R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating p38 kinase mediated diseases using the compound.

  本公开提供了在治疗p38激酶介导的疾病（如淋巴瘤和炎症性疾病）中有用的嘧啶酮-苯基-嘧啶基化合物，其具有如下式（I）的结构： 其中R1、R2、R3、R4和R5如详细描述中所定义；包括至少一种该化合物的药物组合物；以及使用该化合物治疗p38激酶介导的疾病的方法。