2-苄基-4-氯苯甲酸 | 81992-90-7

• 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-苄基-4-氯苯甲酸
• 英文名称: 2-benzyl-4-chloro-benzoic acid
• 英文别名: 2-Benzyl-4-chlor-benzoesaeure；2-benzyl-4-chlorobenzoic acid
• CAS: 81992-90-7
• 化学式: C₁₄H₁₁ClO₂
• 分子量: 246.693
• InChiKey: KGHIGKJJSTWDMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-苄基-4-氯苯甲酸 在 potassium dichromate 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 6.0h， 生成 2-氯蒽醌
  参考文献：
  名称：

  Application of organolithium and related reagents in synthesis XVI: Synthetic strategies based on aromatic metallation. A concise regiospecific conversion of chlorobenzoic acids into their benzylated derivatives

  摘要：

  The reaction of benzyl bromide with bis-(N- and C-ortho)-lithiated chloroanilides 4, 5, and 6 has been examined. It has been found that in the case where the lithiated compound was derived from meta-methoxyanilides, pre-addition of LiBr or TMEDA was required to achieve C-benzylation. These results were accounted for by the conversion of the usually formed dimer into a mixed dimer with the LiBr or TMEDA complex in which the C-lithium bond appears to be more accessible towards electrophiles. The practical synthesis of o-benzylchlorobenzoic acids 10, 11, and 12 was accomplished via ionic reductive cleavage (Et(3)SiH/TiCl4) of the corresponding phthalides 18, 19, and 20. The acids 10, 11b, and 11c afforded the corresponding anthrones, upon treatment with trifluoroacetic anhydride which were oxidized by chromium trioxide to the new chloroantraquinones 21, 22, and 23.

  DOI：

  10.1007/bf00817261
• 作为产物：
  描述：

  2-苯甲酰基-4-氯苯甲酸 在 锌 作用下， 生成 2-苄基-4-氯苯甲酸
  参考文献：
  名称：

  Fouche; Blondel; Horclois, Bulletin de la Societe Chimique de France, 1972, vol. 8, p. 3113 - 3130

  摘要：

  DOI：

文献信息

• GlyT1 RECEPTOR ANTAGONISTS
  申请人：Kolczewski Sabine

  公开号：US20100048531A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound of formula I wherein R 1 , R 2 , X, Ar 1 and Ar 2 are as defined herein and to pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to their corresponding enantiomers and/or optical isomers thereof. Compounds of the invention are good inhibitors of the glycine transporter 1 (GlyT-1), and have a good selectivity to glycine transporter 2 (GlyT-2) inhibitors.

  本发明涉及一种具有式I的化合物 其中 R 1 ，R 2 ，X，Ar 1 和Ar 2 如本文所定义，并且涉及药学上可接受的酸盐加合物，外消旋混合物，或其相应的对映体和/或光学异构体。本发明的化合物是甘氨酸转运蛋白1（GlyT-1）的良好抑制剂，并且对甘氨酸转运蛋白2（GlyT-2）抑制剂具有良好的选择性。
• Bis-(Sulfonylamino) Derivatives in Therapy 065
  申请人：Bylund Johan

  公开号：US20090131468A1

  公开（公告）日：2009-05-21

  The invention provides compounds of formula wherein R 1 , R 2 , R 3 , A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了以下式中R1、R2、R3、A和m的化合物，其中R1、R2、R3、A和m的定义如规范中所述，以及其光学异构体、消旋体和互变异构体，以及其药学上可接受的盐；以及它们的制备方法，含有它们的药物组合物以及它们在治疗中的用途。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• [EN] BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066<br/>[FR] DÉRIVÉS BIS-(SULFONYLAMINO) DANS UNE THÉRAPIE 066
  申请人：ASTRAZENECA AB

  公开号：WO2009064251A1

  公开（公告）日：2009-05-22

  The invention provides compounds of formula wherein R1, R3, L1, L2, G1, G2, A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了以下式中R1、R3、L1、L2、G1、G2、A和m的化合物，其中所述化合物的光学异构体、消旋体和互变异构体以及其药学上可接受的盐；以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的用途。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• Eosin Y as a Redox Catalyst and Photosensitizer for Sequential Benzylic C−H Amination and Oxidation
  作者：Dong‐Mei Yan、Quan‐Qing Zhao、Li Rao、Jia‐Rong Chen、Wen‐Jing Xiao

  DOI：10.1002/chem.201804229

  日期：2018.11.13

  A new synergistic multicatalytic activation mode of eosin Y has been discovered by exploiting the redox potential of its ground state and excited state. This catalytic strategy proves to be an enabling tool for visible‐light‐driven sequential benzylic C−H amination and oxidation of o‐benzyl‐N‐methoxyl‐benzamides when using Selectfluor as a hydrogen atom transfer (HAT) reagent and O2 as oxidant. Efficient

  利用曙红Y的基态和激发态的氧化还原电位，发现了一种新型的曙红Y协同协同催化活化方式。当使用Selectfluor作为氢原子转移（HAT）试剂和O 2作为氧化剂时，该催化策略被证明是可见光驱动的顺序苄基CH-H胺化和邻苄基N甲氧基苯甲酰胺氧化的有效工具。 。因此，可以在温和的反应条件下以良好的收率和选择性实现多种多样的功能化的3-羟基异吲哚满酮的高效合成。初步的机理研究和DFT计算表明，曙红Y可用作氧化还原催化剂和光敏剂。
• Pyrazolobenzazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04379765A1

  公开（公告）日：1983-04-12

  There are presented compounds of the formulas ##STR1## wherein R.sub.1 is hydrogen or lower alkyl; R.sub.2 and R.sub.3 are selected from the group consisting of hydrogen, lower alkyl, C.sub.2 to C.sub.7 carboxylic acids, hydroxy C.sub.2 to C.sub.7 alkyl, C.sub.2 to C.sub.7 carboxylic acid esters and amides and the group COR.sub.11 wherein R.sub.11 is alkoxy, amino or mono- lower alkyl amino; R.sub.6 is nitro or halo and R.sub.5 is hydrogen or halo, and the pharmaceutically acceptable salts thereof. The pyrazolobenzazepines are useful as anxiolytic and sedative agents. Also provided are processes and intermediates in the production of the above pyrazolobenzazepines.

  提供了以下化合物的结构式 ##STR1## 其中 R.sub.1 是氢或较低烷基；R.sub.2 和 R.sub.3 选自氢、较低烷基、C.sub.2 到 C.sub.7 羧酸、羟基 C.sub.2 到 C.sub.7 烷基、C.sub.2 到 C.sub.7 羧酸酯和酰胺以及羧基 COR.sub.11，其中 R.sub.11 是烷氧基、氨基或单烷基氨基；R.sub.6 是硝基或卤素，R.sub.5 是氢或卤素，以及其药用盐。吡唑苯并二氮杂环庚烷类化合物可用作抗焦虑和镇静剂。还提供了在制备上述吡唑苯并二氮杂环庚烷类化合物过程中的方法和中间体。