4-(3,3,3-trifluoropropyl)benzoic acid | 104958-55-6

• 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-(3,3,3-trifluoropropyl)benzoic acid
• CAS: 104958-55-6
• 化学式: C₁₀H₉F₃O₂
• mdl: MFCD22741178
• 分子量: 218.175
• InChiKey: QDORDVFNPUQXDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3,3,3-trifluoropropyl)benzoic acid 在 吡啶 氯化亚砜 作用下， 反应 3.0h， 生成 4-(3,3,3-Trifluoro-propyl)-benzoyl chloride
  参考文献：
  名称：

  Fialkov, Yu. A.; Zalesskaya, I. M.; Shelyazhenko, S. V., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 11, p. 2201 - 2205

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(1,1,2,2,3,3,3-七氟丙基)苯甲酸 在 镍 sodium hydroxide 、 氢气 作用下， 以 甲醇 为溶剂， 反应 7.0h， 以30%的产率得到4-(3,3,3-trifluoropropyl)benzoic acid
  参考文献：
  名称：

  Fialkov, Yu. A.; Zalesskaya, I. M.; Shelyazhenko, S. V., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 11, p. 2201 - 2205

  摘要：

  DOI：

文献信息

• Starting from Styrene: A Unified Protocol for Hydrotrifluoromethylation of Diversified Alkenes
  作者：Yi-Fei Yang、Jin-Hong Lin、Ji-Chang Xiao

  DOI：10.1021/acs.orglett.1c03630

  日期：2021.12.3

  In contrast with unactivated alkenes, the corresponding hydrotrifluoromethylation of styrene has remained challenging due to the strong propensity of styrene for oligomerization and polymerization. On the basis of our newly developed trifluoromethylation reagent, TFSP, herein we present a general method for the hydrotrifluoromethylation of styrene under photoredox catalysis. The substrate scope was

  与未活化的烯烃相比，由于苯乙烯具有强烈的低聚和聚合倾向，相应的苯乙烯氢三氟甲基化仍然具有挑战性。在我们新开发的三氟甲基化试剂 TFSP 的基础上，我们提出了一种在光氧化还原催化下苯乙烯氢三氟甲基化的通用方法。底物范围进一步扩展到未活化的烯烃、丙烯酸酯、丙烯酰胺和乙烯基杂原子取代的烯烃。通过相关的去质子三氟甲基化和三氟甲基三氟乙氧基化反应展示了该方法的可调性。
• Amine Compounds
  申请人：Ohmori Yutaka

  公开号：US20080200535A1

  公开（公告）日：2008-08-21

  There is provided a compound exhibiting an activity of suppressing immune response with reduced adverse drug reactions, which compound is useful in the chemotherapy for preventing or treating, for example, a wide range of various autoimmune diseases including systemic erythematodes, chronic rheumatoid arthritis, Type I diabetes, inflammatory bowel disease, biliary cirrhosis, uveitis, multiple sclerosis or other disorders, or chronic inflammatory diseases, or cancers, lymphoma or leukemia, or resistance to organ or tissue transplantation or rejection against transplantation. Novel amine compounds having an S1P1/Edg1 receptor agonist effect, possible stereoisomers or racemic bodies of the compounds, or pharmacologically acceptable salts, hydrates or solvates of the compound, the stereoisomers or the racemic bodies, or prodrugs of the compounds, the stereoisomers, the racemic bodies, the salts, the hydrates or the solvates, are provided.

  提供了一种化合物，具有抑制免疫反应并减少不良药物反应的活性，该化合物在化疗中用于预防或治疗各种自身免疫性疾病，包括系统性红斑狼疮、慢性类风湿关节炎、I型糖尿病、炎症性肠病、胆汁性肝硬化、葡萄膜炎、多发性硬化或其他疾病，慢性炎症性疾病，癌症，淋巴瘤或白血病，器官或组织移植的抗性或对移植的排斥。提供了具有S1P1/Edg1受体激动剂作用的新型胺类化合物，可能是这些化合物的立体异构体或消旋体，或这些化合物、立体异构体或消旋体的药理学上可接受的盐、水合物或溶剂合物，或这些化合物、立体异构体、消旋体、盐、水合物或溶剂的前药。
• 2-Aryl(pyrrolidin-4-yl)acetic acids are potent agonists of sphingosine-1-phosphate (S1P) receptors
  作者：Lin Yan、Richard Budhu、Pei Huo、Christopher L. Lynch、Jeffrey J. Hale、Sander G. Mills、Richard Hajdu、Carol A. Keohane、Mark J. Rosenbach、James A. Milligan、Gan-Ju Shei、Gary Chrebet、James Bergstrom、Deborah Card、Suzanne M. Mandala

  DOI：10.1016/j.bmcl.2006.03.090

  日期：2006.7

  A series of 2-aryl(pyrrolidin-4-yl)acetic acids were synthesized and their biological activities were evaluated as agonists of SIP receptors. These analogs were able to induce lowering of lymphocyte counts in the peripheral blood of mice and were found to have good overall pharmacokinetic properties in rat. (c) 2006 Elsevier Ltd. All rights reserved.
• Discovery of Potent 3,5-Diphenyl-1,2,4-oxadiazole Sphingosine-1-phosphate-1 (S1P₁) Receptor Agonists with Exceptional Selectivity against S1P₂ and S1P₃
  作者：Zhen Li、Weirong Chen、Jeffrey J. Hale、Christopher L. Lynch、Sander G. Mills、Richard Hajdu、Carol Ann Keohane、Mark J. Rosenbach、James A. Milligan、Gan-Ju Shei、Gary Chrebet、Stephen A. Parent、James Bergstrom、Deborah Card、Michael Forrest、Elizabeth J. Quackenbush、L. Alexandra Wickham、Hugo Vargas、Rose M. Evans、Hugh Rosen、Suzanne Mandala

  DOI：10.1021/jm0503244

  日期：2005.10.1

  A class of 3,5-diphenyl-1,2,4-oxadiazole based compounds have been identified as potent sphingosine-1-phosphate-1 (S1P(1)) receptor agonists with minimal affinity for the S1P(2) and S1P3 receptor subtypes. Analogue 26 (S1P(1) IC50 = 0.6 nM) has an excellent pharmacokinetics profile in the rat and dog and is efficacious in a rat skin transplant model, indicating that S1P(3) receptor agonism is not a component of inummosuppressive efficacy.
• FIALKOV, YU. A.;ZALESSKAYA, I. M.;SHELYAZHENKO, S. V.;YAGUPOLSKIJ, L. M., ZH. ORGAN. XIMII, 1985, 21, N 11, 2407-2411
  作者：FIALKOV, YU. A.、ZALESSKAYA, I. M.、SHELYAZHENKO, S. V.、YAGUPOLSKIJ, L. M.

  DOI：——

  日期：——