2-Benzyl-3-chlor-benzoesaeure | 4889-77-4

• 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-Benzyl-3-chlor-benzoesaeure
• 英文别名: 2-benzyl-3-chloro-benzoic acid；3-Chloro-2-benzylbenzoic acid；2-benzyl-3-chlorobenzoic acid
• CAS: 4889-77-4
• 化学式: C₁₄H₁₁ClO₂
• 分子量: 246.693
• InChiKey: BOZFADPBTXJVHH-UHFFFAOYSA-N

物化性质

• 熔点：
  126-127 °C
• 沸点：
  385.7±27.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

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-Benzyl-3-chlor-benzoesaeure 在 锂硼氢 、 硫酸 、 氢溴酸 作用下， 生成 (2-Benzyl-3-chloro-phenyl)-acetonitrile
  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：
• 作为产物：
  描述：

  2-benzoyl-3,6-dichloro-benzoic acid 在 ammonium hydroxide 、 copper(II) sulfate 、 锌 作用下， 生成 2-Benzyl-3-chlor-benzoesaeure
  参考文献：
  名称：

  6-chloro-diphenyl-methane-2-carboxylic acid compounds and a process for preparing the same

  摘要：

  公开号：

  US02212056A1

文献信息

• Huperzine a prodrugs and uses thereof
  申请人：Pan Bai-Chuan

  公开号：US20070082922A1

  公开（公告）日：2007-04-12

  Disclosed are huperzine A prodrugs and method of synthesis thereof. The invention further relates to methods of treating, preventing or reversing neurodegenerative diseases, such as, Alzheimer's Disease and neuronal dysfunctions, such as, memory impairment using a pharmaceutical composition comprising a huperzine A prodrug as disclosed herein.

  揭示了Huperzine A 前药及其合成方法。本发明还涉及使用包含本文所述的 Huperzine A 前药的药物组合物治疗、预防或逆转神经退行性疾病，如阿尔茨海默病和神经功能障碍，如记忆障碍的方法。
• FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1396488A1

  公开（公告）日：2004-03-10

  The fused heterocyclic compound of the present invention, which is represented by the formula (I): wherein each symbol is as defined in the specification, an optically active form thereof, a pharmaceutically acceptable salt thereof, a hydrate thereof and a water adduct thereof show poly(ADP-ribose) synthase inhibitory action and are useful as therapeutic drugs for cerebral infarction.

  本发明的融合杂环化合物，其化学式表示为（I）：其中每个符号如规范中定义，其光学活性形式，其药学上可接受的盐，其水合物和水加合物显示聚(ADP-核糖)合酶抑制作用，并可用作治疗脑梗死的药物。
• Fused heterocyclic compound and medicinal use thereof
  申请人：——

  公开号：US20040176361A1

  公开（公告）日：2004-09-09

  The fused heterocyclic compound of the present invention, which is represented by the formula (I): 1 wherein each symbol is as defined in the specification, an optically active form thereof, a pharmaceutically acceptable salt thereof, a hydrate thereof and a water adduct thereof show poly(ADP-ribose) synthase inhibitory action and are useful as therapeutic drugs for cerebral infarction.

  本发明的融合杂环化合物，由式(I)表示：1其中每个符号如规范中所定义，其光学活性形式，其药学上可接受的盐，其水合物和水加合物均表现出聚(ADP-核糖)合酶抑制作用，并且可用作治疗脑梗塞的治疗药物。
• 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
  作者：J. Epsztajn、A. Bieniek、J. A. Kowalska

  DOI：10.1007/bf00817261

  日期：——

  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.
• PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS
  申请人：EASTMAN CHEMICAL COMPANY

  公开号：EP1183284A1

  公开（公告）日：2002-03-06