2-[4-(4-chlorophenyl)benzyloxy]-2-phenylbutyric acid

• 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: 2-[4-(4-chlorophenyl)benzyloxy]-2-phenylbutyric acid
• 英文别名: 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
• 化学式: C₂₃H₂₁ClO₃
• 分子量: 380.871
• InChiKey: RVPCSOXIXXTDIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(4-氯苯基)苄基氯 、 methyl 2-hydroxy-2-phenylbutanoate 生成 2-[4-(4-chlorophenyl)benzyloxy]-2-phenylbutyric acid
  参考文献：
  名称：

  BOWIE, R. A.

  摘要：

  DOI：

文献信息

• Dioxolane derivatives
  申请人：Imperial Chemical Industries Limited

  公开号：US04348322A1

  公开（公告）日：1982-09-07

  The invention is concerned with novel dioxolane derivatives of the formula: ##STR1## in which R.sub.a is hydrogen or (1-4C)alkyl and R.sub.b is (1-4C)alkyl or phenyl optionally bearing a halogeno substituent; their production; and their use for the manufacture of certain known anti-arthritic acids of the formula: ##STR2## and, in particular, those acids in which R.sub.a =R.sub.b =methyl or R.sub.a =ethyl and R.sub.b =phenyl, by a novel reduction process. The preferred reduction procedures involve the use of an alkali metal borohydride or cyanoborohydride in the presence of a noble metal catalyst, or the use of an .alpha.-branched alkyl or cycloalkyl Grignard agent. The use of the derivatives of formula I avoids the need for potentially toxic reagents and reactive intermediates in the previously known processes for the production of the acids of formula V.

  本发明涉及一种新的二氧六环衍生物，其化学式为：## STR1 ## 其中，Ra为氢或（1-4C）烷基，Rb为（1-4C）烷基或苯基，可选地带有卤素取代基；它们的制备方法；以及它们用于制造某些已知的抗关节炎酸的化学式：## STR2 ## 特别是那些R.sub.a = R.sub.b = 甲基或R.sub.a = 乙基且R.sub.b =苯基的酸，通过一种新的还原过程。首选的还原程序涉及在贵金属催化剂存在下使用碱金属硼氢化物或氰硼氢化物，或使用α-支链烷基或环烷基格氏试剂。使用化合物I的衍生物避免了以前已知的制备化合物V的过程中需要使用潜在有毒试剂和反应中间体的需要。
• Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0009306A1

  公开（公告）日：1980-04-02

  The invention concerns novel 2-[4-(4-chlorophenyl)-benzyloxy]acetic acids of the formula: in which RI is hydrogen or (1-4C)alkyl, R2 is phenyl optionally bearing a halogeno substituent, and R3 is hydrogen or (1-4C)alkyl, and when R3 is hydrogen pharmaceutically acceptable base-addition salts thereof; and processes for their manufacture. The compounds possess useful anti-arthritic properties coupled with desirable pharmacokinetic properties and the minimum of adverse properties, and the invention also concerns pharmaceutical compositions of such compounds for use in the treatment of arthritic joint diseases. A typical compound of the invention is 2-[4-(4-chlorophenyl)benzyloxy]propionic acid.

  本发明涉及式如下的新型 2-[4-(4-氯苯基)-苄氧基]乙酸： 其中RI是氢或(1-4C)烷基，R2是可选带有卤代基的苯基，R3是氢或(1-4C)烷基，当R3是氢时是其药学上可接受的碱加成盐；以及它们的制造工艺。 这些化合物具有有用的抗关节炎特性，同时具有理想的药代动力学特性和最小的不良特性，本发明还涉及用于治疗关节炎性关节疾病的此类化合物的药物组合物。本发明的一种典型化合物是 2-[4-(4-氯苯基)苄氧基]丙酸。
• Benzaldehyde derivatives for use as a chemical intermediate
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0037698A1

  公开（公告）日：1981-10-14

  The invention provides the novel chemical intermediate 4-(4-chlorophenyl)benzaldehyde, or the hydrate thereof; processes for its production and for its conversion to the known compounds 4-(4-chlorophenyl)-benzyl alcohol and 4-(4-chlorophenyl)benzyl chloride and bromide. These latter compounds are intermediates known for use in the manufacture of anti-arthritic benzyloxyacetic acids of the formula: in which Re is hydrogen or (1-4C)alkyl and Rf is (1-4C)alkyl or phenyl optionally bearing a halogeno substituent, and have previously only been obtainable by the use of potentially toxic chloromethyl ethers. The invention therefore also provides processes for the manufacture of the anti-arthritic acids of formula IV starting from 4-(4-chlorophenyl)benzaldehyde which avoid the use of such hazardous ethers.

  本发明提供了新型化学中间体 4-(4-氯苯基)苯甲醛或其水合物；其生产工艺以及将其转化为已知化合物 4-(4-氯苯基)苯甲醇和 4-(4-氯苯基)苄基氯和溴的工艺。 后一种化合物是已知的用于生产抗关节炎苄氧基乙酸的中间体，其式如下 其中 Re 是氢或(1-4C)烷基，Rf 是(1-4C)烷基或可选带有卤代基的苯基，以前只能通过使用具有潜在毒性的氯甲基醚来获得。因此，本发明还提供了以 4-(4-氯苯基)苯甲醛为原料生产式 IV 抗关节炎酸的工艺，避免了使用此类有害醚类。
• Dioxolane derivatives for use as chemical intermediates
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0037697A1

  公开（公告）日：1981-10-14

  The invention is concerned with novel dioxolane derivatives of the formula:- in which Ra is hydrogen or (1-4C)alkyl and Rb is (1-4C)alkyl or phenyl optionally bearing a halogeno substituent; their production; and their use for the manufacture of certain known anti-arthritic acids of the formula:- and, in particular, those acids in which Ra=Rb=methyl or Ra=ethyl and Rb =phenyl, by a novel reduction process. The preferred reduction procedures involve the use of an alkali metal borohydride or cyanoborohydride in the presence of a noble metal catalyst, or the use of an α-branched alkyl or cycloalkyl Grignard agent. The use of the derivatives of formula avoids the need for potentially toxic reagents and reactive intermediates in the previously known processes for the production of the acids of formula V.

  本发明涉及式如下的新型二氧戊环衍生物 其中Ra为氢或(1-4C)烷基，Rb为(1-4C)烷基或任选带有卤代基的苯基；它们的生产；以及它们用于制造某些已知的式为:-的抗关节炎酸。 特别是Ra＝Rb＝甲基或Ra＝乙基和Rb＝苯基的那些酸，采用新的还原工艺。优选的还原过程包括在贵金属催化剂存在下使用碱金属硼氢化物或氰基硼氢化物，或使用 α-支链烷基或环烷基格氏剂。 使用式的衍生物可以避免在以前已知的生产式 V 酸的工艺中使用可能有毒的试剂和反应中间体。
• BOWIE, R. A.
  作者：BOWIE, R. A.

  DOI：——

  日期：——