3-仲丁基苯甲酸 | 40912-37-6

• 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: 3-仲丁基苯甲酸
• 英文名称: 3-sec-butylbenzoic acid
• 英文别名: 3-Butan-2-ylbenzoic acid
• CAS: 40912-37-6
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: WVVSSBFAVJCPSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  sec-butylzinc(II) bromide 、 3-碘苯甲酸 在 2,2'-联吡啶 、 Ni(bpy)₂Cl₂ 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以50%的产率得到3-仲丁基苯甲酸
  参考文献：
  名称：

  镍催化烷基卤化锌交叉偶联形成C（sp2）？C（sp3）债券：范围和机制

  摘要：

  确定了烷基锌卤化物与芳基，杂芳基和烯基卤化物的一般Ni催化Negishi交叉偶联的最佳条件。这些条件使得反应能够在低催化剂负载下并且在多种官能团的存在下平稳地进行，从而在室温下以高收率提供产物。在机构DFT研究支持的烷基卤化锌的催化循环中涉及转移金属化的发生，镍我随后氧化加成的卤代芳烃的和C  Ç还原消除。

  DOI：

  10.1002/chem.200901913

文献信息

• LXR AGONISTS AND USES THEREOF
  申请人：Martinez Eduardo J.

  公开号：US20170066791A1

  公开（公告）日：2017-03-09

  This invention features compounds that modulate the activity of liver X receptors, pharmaceutical compositions including the compounds of the invention, and methods of utilizing those compositions for modulating the activity of liver X receptors in the treatment of cancer.

  这项发明涉及调节肝X受体活性的化合物，包括该发明的化合物的药物组合物，以及利用这些组合物调节肝X受体活性治疗癌症的方法。
• DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS
  申请人：PFIZER INC.

  公开号：US20150259323A1

  公开（公告）日：2015-09-17

  Compounds of Formula I that inhibit the activity of the diacylglycerol acyltransferase 2 (DGAT2) and their uses in the treatment of diseases linked thereto in animals are described herein.

  本文描述了抑制二酰基甘油酰基转移酶2（DGAT2）活性的化合物I的使用，以及它们在治疗相关动物疾病中的用途。
• IAP BINDING COMPOUNDS
  申请人：Lundorf Mikkel Dybro

  公开号：US20110230419A1

  公开（公告）日：2011-09-22

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable salts, solvates or prodrugs thereof, that bind to Inhibitor of Apoptosis Proteins (IAPs). The compounds of the invention may be used as diagnostic and therapeutic agents in the treatment of proliferative diseases, such as cancer, for promoting apoptosis in proliferating cells, and for sensitizing cells to inducers of apoptosis. The present invention furthermore provides a polymeric compound of formulas (VI) or (VII), comprising either at least two monomeric units of compounds of formula (I), or at least one monomeric unit of a compound of formula (I) and an entity E. The present invention further relates to pharmaceutical compositions comprising said compounds of formulas (I), (VI), and (VII) and the use of said compounds in medicine.

  本发明涉及式(I)的化合物，或其药学上可接受的盐、溶剂化合物或前药，其与凋亡抑制蛋白（IAPs）结合。本发明的化合物可用作诊断和治疗增生性疾病，例如癌症，促进增殖细胞的凋亡，并使细胞对凋亡诱导剂敏感。本发明还提供式(VI)或(VII)的聚合物化合物，其中包括至少两个式(I)的单体单位，或至少一个式(I)的单体单位和一个实体E。本发明还涉及包含上述化合物的药物组合物，以及在医学中使用上述化合物的用途。
• PLANOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF PRODUCING A COPOLYMER USED THEREIN
  申请人：OYA Toyohisa

  公开号：US20090087787A1

  公开（公告）日：2009-04-02

  A planographic printing plate precursor having an intermediate layer containing a copolymer containing structural units represented by Formulae (1), (2) and (3) below, and a image forming layer, in this order on a support, wherein R 1 , R 2 and R 3 each represent a hydrogen atom, a substituent having from 1 to 30 carbon atoms, or a halogen atom, L 1 represents a single bond or a (n+1)-valent connecting group, n represents an integer of from 0 to 10, L 2 represents a single bond or a (m+1)-valent connecting group, X represents a carboxylate ion, M represents a counter cation necessary for neutralization of charge, m represents an integer of from 1 to 10, and Y represents a substituent having from 0 to 30 carbon atoms, provided that Y does not represent a carboxy group and does not represent the same constituent as (XM).
• POLYMER HAVING SULFONIC ACID GROUP OR SULFONIC ACID ESTER GROUP AND AMIDE GROUP, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGE HAVING THE POLYMER
  申请人：Fukui Tatsuki

  公开号：US20090162773A1

  公开（公告）日：2009-06-25

  There is provided a polymer including a unit represented by Chemical Formula (1): wherein R represents -A 1 -SO 2 R 1 ; R 1w and R 1X are each independently a halogen atom or a hydrogen atom; R 1y is a CH 3 group, a halogen atom or a hydrogen atom; A 01 is a substituted or unsubstituted aromatic ring structure or a substituted or unsubstituted heterocyclic structure; A 1 is a substituted or unsubstituted aliphatic hydrocarbon structure, a substituted or unsubstituted aromatic ring structure or a substituted or unsubstituted heterocyclic structure; R 1 is OH, a halogen atom, ONa, OK or OR 1a ; R 1a is a substituted or unsubstituted aliphatic hydrocarbon structure, a substituted or unsubstituted aromatic ring structure or a substituted or unsubstituted heterocyclic structure.