1-(氯(苯基)甲基)-4-(三氟甲基)-苯 | 787-49-5

• 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: 1-(氯(苯基)甲基)-4-(三氟甲基)-苯
• 英文名称: 1-(chloro(phenyl)methyl)-4-(trifluoromethyl)-benzene
• 英文别名: p-Trifluormethylbenzhydrylchlorid；1-(Chloro(phenyl)methyl)-4-(trifluoromethyl)benzene；1-[chloro(phenyl)methyl]-4-(trifluoromethyl)benzene
• CAS: 787-49-5
• 化学式: C₁₄H₁₀ClF₃
• mdl: MFCD11974262
• 分子量: 270.682
• InChiKey: XORHOWOSRLIUMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P234,P264,P280,P390,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P406,P405
• 危险品运输编号：
  3265
• 危险性描述：
  H314,H290
• 包装等级：
  II

反应信息

• 作为反应物：
  描述：

  1-(氯(苯基)甲基)-4-(三氟甲基)-苯 在 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 4.0h， 生成 1-phenyl-4-(4-phenyl[4-(trifluoromethyl)phenyl]methylpiperazino)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of pyrazolo[3,4-d]pyrimidines: a novel class of potent enterovirus inhibitors

  摘要：

  A series of pyrazolo[3,4-d]pyrimidines were synthesized. and their antiviral activity was evaluated in a plaque reduction assay. It is very interesting that this class of compounds provide remarkable evidence that they are very specific for human enteroviruses, in particular, coxsackieviruses. Some derivatives proved to be highly effective in inhibiting enterovirus replication at nanomolar concentrations. SAR studies revealed that the phenyl group at the N-I position and the hydrophobic diarylmethyl group at the piperazine largely influenced the in vitro antienteroviral activity of this new class of potent antiviral agents. It was found that the pyrazolo[3,4-d]pyrimidines with a thiophene substituent, such as compounds 20 24, in general exhibited high activity against coxsackievirus B3 (IC50 = 0.063-0.089 muM) and moderate activity against enterovirus 71 (IC50 = 0.32-0.65 muM) with no apparent cytotoxic effect toward RD (rhabdomyosarcoma) cell lines (CC50>25 muM). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.092
• 作为产物：
  描述：

  4-三氟甲基-二苯甲醇 在 氯化亚砜 作用下， 生成 1-(氯(苯基)甲基)-4-(三氟甲基)-苯
  参考文献：
  名称：

  作为有效和选择性多巴胺摄取抑制剂的新型4'-取代和4'，4“-二取代3α-（二苯基甲氧基）托烷类似物。

  摘要：

  制备了一系列4'-取代和4'，4“-二取代的3α-（二苯基甲氧基）托烷类似物作为多巴胺转运蛋白的新型探针。这些化合物在多巴胺，去甲肾上腺素和5-羟色胺转运蛋白的放射性标记结合试验中进行了评估。 。所有这些化合物在大鼠尾状壳状核中单相置换[3H] WIN 35,428的Ki值范围为11.8至2000 nM。该系列中最有效的化合物是4'，4“-二氟3α-（二苯基甲氧基）托烷7c Ki = 11.8 nM。所有这些化合物均抑制大鼠尾状壳核蛋白中的多巴胺摄取（IC50 = 24-4456 nM），这与多巴胺转运蛋白的结合亲和力显着相关（r = 0.907； p> 0.0001）。没有一种化合物在去甲肾上腺素上显示出高亲和力结合（Ki> 4800 nM）或血清素（Ki> 690 nM）转运蛋白。因此，该系列中最有效的多巴胺摄取抑制剂对多巴胺转运蛋白具有高度选择性。对其中一些类似物（7a-e）的初步行

  DOI：

  10.1021/jm00020a006

文献信息

• Photo-heterolysis and -homolysis of substituted diphenylmethyl halides, acetates, and phenyl ethers in acetonitrile: characterization of diphenylmethyl cations and radicals generated by 248-nm laser flash photolysis
  作者：J. Bartl、S. Steenken、H. Mayr、R. A. McClelland

  DOI：10.1021/ja00175a028

  日期：1990.9

  cations with R = R' = Me to R = H, R' = CF3. The rate constants for reaction of C+ with halides (ion recombination) are -2 X 1O1O M-l s-' (diffusion control). The radicals C' disappear by dimerization and disproportionation, for which a complete mass balance has been achieved by product analysis for the case of the benzhydryl system. At laser-pulse powers > IO mJ electronically excited radicals, C", are

  异裂比均裂吸热小得多。均裂和异裂也可以通过与三线态苯乙酮（由 308 nm 光解产生）的反应间接实现。除非被一种或多种 MeO 稳定，否则阳离子主要通过与乙腈反应生成腈离子而衰变。然而，由于该反应是可逆的（如二苯甲基阳离子所示），腈离子对最终（阳离子衍生）产物的形成贡献很小，这是由与痕量水（主要产物，二苯甲基醇）反应产生的。 ; 次要，二苯甲基乙酰胺）。对于 R = R' = Me 到 R = H，R' = CF3 的阳离子，C+ 加到 CH$N 的速率常数在 3.5 X 105 到 3.8 X IO7 sI 的范围内。C+ 与卤化物（离子复合）反应的速率常数为 -2 X 1O1O Ml s-' （扩散控制）。自由基C'通过二聚和歧化消失，对于二苯甲基体系的情况，通过产物分析已经实现了完全的质量平衡。在激光脉冲功率 > 10 mJ 时，通过基态 C' 吸收光量子，在许多情况下另外形成电子激发自由基
• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2019104011A1

  公开（公告）日：2019-05-31

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本发明涉及化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药剂，以及使用此类化合物治疗或预防与鞘氨醇半乳糖基转移酶（CGT）相关疾病或失调的方法，例如，例如，溶酶体贮积病。溶酶体贮积病的例子包括，例如，克拉伯病和异染性脑白质营养不良。
• Glycine transporter-1 inhibitors
  申请人：Hitchcock Stephen

  公开号：US20080004289A1

  公开（公告）日：2008-01-03

  The present invention provides compounds that are glycine transporter 1 (hereinafter referred to as GlyT-1) inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of GlyT1 such as cognitive disorders associated with Schizophrenia, ADHD (attention deficit hyperactivity disorder), MCI (mild cognitive impairment), and the like. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种甘氨酸转运蛋白1（以下简称为GlyT-1）抑制剂的化合物，因此可用于治疗通过抑制GlyT1可治疗的疾病，如与精神分裂症、注意力缺陷多动障碍（ADHD）、轻度认知障碍（MCI）等相关的认知障碍。还提供了含有这种化合物的药物组合物以及制备这种化合物的方法。
• GLYCINE TRANSPORTER-1 INHIBITORS
  申请人：Hitchcock Stephen

  公开号：US20090227595A1

  公开（公告）日：2009-09-10

  The present invention provides compounds that are glycine transporter 1 (hereinafter referred to as GlyT-1) inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of GlyT1 such as cognitive disorders associated with Schizophrenia, ADHD (attention deficit hyperactivity disorder), MCI (mild cognitive impairment), and the like. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种甘氨酸转运体1（以下简称GlyT-1）抑制剂化合物，因此可用于治疗通过抑制GlyT1可治疗的疾病，如与精神分裂症、注意力缺陷多动障碍（ADHD）、轻度认知障碍（MCI）等相关的认知障碍。还提供了含有这些化合物的制药组合物和制备这些化合物的方法。
• Carbon–Germanium Bond Formation via Low-Valent Cobalt-Catalyzed Cross-Electrophile Coupling
  作者：Haifeng Chen、Chen Zhu、Huifeng Yue、Magnus Rueping

  DOI：10.1021/acscatal.3c01244

  日期：2023.5.19

  cobalt-catalyzed carbon–germanium bond formation provides access to a variety of functionalized germane-containing compounds, including aryl, vinyl, and alkyl germanes. The cobalt-catalyzed germylation is conducted under mild reaction conditions and exhibits a broad scope and functional group tolerance. Mechanistic experimental studies provide insight into the unexpected reaction pathway and the sequential

  一种高效的、电化学诱导的钴催化碳-锗键形成提供了获得各种功能化含锗化合物的途径，包括芳基、乙烯基和烷基锗烷。钴催化的甲醛化反应在温和的反应条件下进行，表现出广泛的范围和官能团耐受性。机理实验研究提供了对意外反应途径和不同亲电子试剂顺序激活的洞察力。