4-(2-Hydroxymethylphenyl)benzoic acid | 679407-00-2

• 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: 4-(2-Hydroxymethylphenyl)benzoic acid
• 英文别名: 4-[2-(hydroxymethyl)phenyl]benzoic acid
• CAS: 679407-00-2
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: DMKNNFTYLMTWOF-UHFFFAOYSA-N

物化性质

• 沸点：
  462.2±38.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-Hydroxymethylphenyl)benzoic acid 在 氯化亚砜 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Design, synthesis, and SAR of anthranilamide-based factor Xa inhibitors incorporating substituted biphenyl P4 motifs

  摘要：

  Anthranilamides 4 and 5 were designed and synthesized as selective and orally bioavailable factor Xa inhibitors. Structural modifications aimed at lowering their lipophilicity were performed at the central phenyl ring and at the S4 binding biphenyl region by incorporating water solublizing substituents. The resulting compounds (e.g., 7, 8, 14, 30a, and 32b) are highly potent in vitro, and show improved activity in human plasma-based thrombin generation assay. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.11.079
• 作为产物：
  描述：

  2-溴苄醇 、 4-羧基苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 4-(2-Hydroxymethylphenyl)benzoic acid
  参考文献：
  名称：

  Design, synthesis, and SAR of anthranilamide-based factor Xa inhibitors incorporating substituted biphenyl P4 motifs

  摘要：

  Anthranilamides 4 and 5 were designed and synthesized as selective and orally bioavailable factor Xa inhibitors. Structural modifications aimed at lowering their lipophilicity were performed at the central phenyl ring and at the S4 binding biphenyl region by incorporating water solublizing substituents. The resulting compounds (e.g., 7, 8, 14, 30a, and 32b) are highly potent in vitro, and show improved activity in human plasma-based thrombin generation assay. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.11.079

文献信息

• ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS
  申请人：Yamagishi Tatsuya

  公开号：US20120232052A1

  公开（公告）日：2012-09-13

  The present invention relates to aryl carboxamide derivatives of formula (I), wherein Ar 1 is phenyl; Ar 2 is aryl; n is 1-4; X is —O—, —S—, —SO— or —SO 2 —, a prodrug thereof or a pharmaceutically acceptable salt thereof, which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of such disorders and diseases as pain in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases as pain in which voltage gated sodium channels are involved.

  本发明涉及公式（I）的芳基羧酰胺衍生物，其中Ar1是苯基；Ar2是芳基；n为1-4；X为—O—、—S—、—SO—或—SO2—，其前体药物或其药学上可接受的盐，具有阻断电压门控钠通道如TTX-S通道的活性，并在治疗或预防涉及电压门控钠通道的疾病和疾病，如疼痛方面中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病和疾病，如疼痛方面的使用。
• Optical article made of amorphous thermoplastic polyester resin
  申请人：MITSUBISHI RAYON CO., LTD.

  公开号：EP0302516A2

  公开（公告）日：1989-02-08

  An optical article such as optical disk and optical lens, made of an amorphous thermoplastic polyester resin comprised of recurring units, each recurring unit having an aromatic ring in the main chain thereof and an aromatic ring in the side chain thereof. The optical article have a good heat resistance, resistance to absorption of moisture and optical characteristics.

  一种光学产品，如光盘和光学镜片，由无定形热塑性聚酯树脂制成，该树脂由循环单元组成，每个循环单元的主链上有一个芳香环，侧链上有一个芳香环。这种光学产品具有良好的耐热性、抗吸湿性和光学特性。
• US4910291A
  申请人：——

  公开号：US4910291A

  公开（公告）日：1990-03-20
• US9051296B2
  申请人：——

  公开号：US9051296B2

  公开（公告）日：2015-06-09
• Design, synthesis, and SAR of anthranilamide-based factor Xa inhibitors incorporating substituted biphenyl P4 motifs
  作者：Penglie Zhang、Liang Bao、Jingmei F Zuckett、Erick A Goldman、Zhaozhong J Jia、Ann Arfsten、Susan Edwards、Uma Sinha、Athiwat Hutchaleelaha、Gary Park、Joseph L Lambing、Stanley J Hollenbach、Robert M Scarborough、Bing-Yan Zhu

  DOI：10.1016/j.bmcl.2003.11.079

  日期：2004.2

  Anthranilamides 4 and 5 were designed and synthesized as selective and orally bioavailable factor Xa inhibitors. Structural modifications aimed at lowering their lipophilicity were performed at the central phenyl ring and at the S4 binding biphenyl region by incorporating water solublizing substituents. The resulting compounds (e.g., 7, 8, 14, 30a, and 32b) are highly potent in vitro, and show improved activity in human plasma-based thrombin generation assay. (C) 2004 Published by Elsevier Ltd.