2,4-双(三氟甲基)苯甲醇 | 143158-15-0

• 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-双(三氟甲基)苯甲醇
• 中文别名: 2,4-二(三氟甲基)苄醇；2,4-双(三氟甲基)-苯甲醇
• 英文名称: 2,4-bis(trifluoromethyl)benzyl alcohol
• 英文别名: [2,4-bis(trifluoromethyl)phenyl]methanol
• CAS: 143158-15-0
• 化学式: C₉H₆F₆O
• mdl: MFCD00042491
• 分子量: 244.136
• InChiKey: NDHDRXKQSOFDNV-UHFFFAOYSA-N

物化性质

• 沸点：
  181.3±35.0 °C(Predicted)
• 密度：
  1.433±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险反应。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2906299090
• 危险类别：
  IRRITANT
• 安全说明：
  S26,S36
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2,4-双(三氟甲基)苯甲醇 在 氧气 、 C₅₄H₆₀N₆O₆Pd⁽²⁺⁾*2Br^(1-) 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 80.0 ℃ 、500.01 kPa 条件下， 反应 8.0h， 以58.23%的产率得到2,4-双(三氟甲基)苯甲醛
  参考文献：
  名称：

  使用联吡啶-金鸡纳基钯催化剂将醇有氧氧化成羰基合成子

  摘要：

  我们报道了使用基于联吡啶-金鸡纳生物碱的钯催化系统（ PdAc-5）在中等压力下使用氧气将伯醇和仲醇有氧氧化成相应的醛和酮。使用 SEM、EDAX 和 XPS 分析对PdAc-5催化剂进行分析。上述催化系统用于不同氧化系统的实验，其中包括不同的溶剂、添加剂和碱，这些系统便宜、坚固、无毒，并且在工业实验台上可商业获得。所得产品的产率和选择性（70-85%）都非常可观。此外，还使用​​PdAc-5进行了许多重要的研究，例如与各种商业催化剂、溶剂体系、溶剂混合物和催化剂摩尔％的比较。醇氧化成羰基化合物的合成策略已经建立，所有产物均使用1 H NMR、13 CNMR 和 GC 质量分析进行分析。

  DOI：

  10.1039/d1ra05855j
• 作为产物：
  描述：

  2,4-双(三氟甲基)苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.83h， 以96%的产率得到2,4-双(三氟甲基)苯甲醇
  参考文献：
  名称：

  Syntheses, antiproliferative activity and theoretical characterization of acitretin-type retinoids with changes in the lipophilic part

  摘要：

  Acitretin analogs, incorporating changes in the lipophilic part, were efficiently synthesized from commercially available aromatic aldehydes or methyl ketones using the Wittig or Horner-Wadsworth-Emmons reaction. Their antiproliferative activity was evaluated against human breast MCF-7 epithelial cells. Analogs 3, 4, 8 and 11 exhibited strong, dose-dependent, antiproliferative activity on the tested cell line. Analog 3, incorporating three methoxy groups in the aromatic ring, exhibited the strongest inhibitory effect at 10 mu M. High-level all electron conventional ab initio and density functional theory quantum chemical calculations were performed to obtain the molecular structure, electron charge distribution and polarization properties of all compounds of interest in this work. The most active analogs were planar and were characterized by larger dipole moments than the other synthesized molecules. Another factor of importance to the analysis of the activity of these molecules is the dipole polarizability. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.12.008

文献信息

• Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity
  申请人：——

  公开号：US20020120011A1

  公开（公告）日：2002-08-29

  The invention relates to substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamine compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Preferred tertiary-heteroalkylamine compounds are substituted N,N-disubstituted diamines. A preferred specific N,N-disubstituted diamine is the compound: 1

  这项发明涉及替代多环芳基和杂环芳基的三级杂烷基胺化合物，可用作胆固醇酯转移蛋白（CETP；血浆脂质转移蛋白-I）的抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。首选的三级杂烷基胺化合物是取代的N,N-二取代二胺。首选的具体N,N-二取代二胺化合物是：1
• Vanilloid receptor ligands and their use in treatments
  申请人：——

  公开号：US20030195201A1

  公开（公告）日：2003-10-16

  Compounds having the general structure 1 and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构1的化合物以及含有它们的组合物，用于治疗急性疼痛、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、丛集性头痛、混合性血管和非血管综合症、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎症性肠病、炎症性眼病、炎症性或不稳定的膀胱病、银屑病、具有炎症成分的皮肤疾病、慢性炎症状况、炎症性疼痛及其相关的过度疼痛和异常疼痛、神经性疼痛及其相关的过度疼痛和异常疼痛、糖尿病性神经病疼痛、灼痛、交感神经维持的疼痛、去神经综合症、哮喘、上皮组织损伤或功能障碍、单纯疱疹、在呼吸、生殖泌尿、胃肠或血管区域的内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠病、胃溃疡、十二指肠溃疡、腹泻、由坏死性剂引起的胃部病变、毛发生长、血管运动性或过敏性鼻炎、支气管障碍或膀胱障碍。
• (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity
  申请人：——

  公开号：US20020177708A1

  公开（公告）日：2002-11-28

  The invention relates to substituted aryl and heteroaryl (R)-Chiral Halogenated 1-Substitutedamino-(n+1)-Alkanol compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Novel high yield, stereoselective processes for the preparation of the chiral substituted alkanol compounds from chiral and achiral intermediates are described.

  这项发明涉及取代芳基和杂环芳基的(R)-手性卤代1-取代氨基-(n+1)-烷醇化合物，用作胆固醇酯转移蛋白(CETP；血浆脂质转移蛋白-I)的抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。描述了从手性和不对映体中间体制备手性取代烷醇化合物的新型高产率、立体选择性过程。
• [EN] ATF6 MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS ATF6 ET LEURS UTILISATIONS
  申请人：BLACK BELT TX LTD

  公开号：WO2021069721A1

  公开（公告）日：2021-04-15

  Compounds (1-2) as modulators of Activating Transcription Factor 6 (ATF6) are provided. The compounds may find use as therapeutic agents for the treatment of diseases or disorders mediated by ATF6 and may find particular use in the treatment of viral infections, neurodegenerative diseases, vascular diseases, or cancer. (Formula (1-2))

  提供了作为激活转录因子6（ATF6）调节剂的化合物（1-2）。这些化合物可能被用作治疗由ATF6介导的疾病或紊乱的治疗剂，并且可能特别适用于治疗病毒感染、神经退行性疾病、血管疾病或癌症。 （化学式（1-2））
• Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade
  申请人：Pharmacia Corporation

  公开号：US20020198199A1

  公开（公告）日：2002-12-26

  The present invention relates to compounds, and prodrugs thereof, composition and methods useful for preventing and treating thrombotic conditions in mammals. The compounds of the present invention, and prodrugs thereof, selectively inhibit certain proteases of the coagulation cascade.

  本发明涉及化合物及其前药、组合物和方法，用于预防和治疗哺乳动物的血栓性疾病。本发明的化合物及其前药有选择性地抑制凝血级联中的某些蛋白酶。