(+)-(S)-3-nitro-4-(2-methylbutyloxy)benzoic acid | 136760-38-8

• 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: (+)-(S)-3-nitro-4-(2-methylbutyloxy)benzoic acid
• 英文别名: (S)-(+)-4-(2-methylbutyloxy)-3-nitrobenzoic acid；4-[(2S)-2-methylbutoxy]-3-nitrobenzoic acid
• CAS: 136760-38-8
• 化学式: C₁₂H₁₅NO₅
• 分子量: 253.255
• InChiKey: HDRSSGQOMGYUOP-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(7-octenyloxy)phenol 、 (+)-(S)-3-nitro-4-(2-methylbutyloxy)benzoic acid 在 2-(吡咯烷-1-基)吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以67%的产率得到(+)-(S)-4-(7-octenyloxy)phenyl 3-nitro-4-(2-methylbutyloxy)benzoate
  参考文献：
  名称：

  The Mesophase Structure of Chiral Liquid Crystalline Polysiloxanes for Electro-Optical Applications

  摘要：

  Homopolysiloxanes poly(1) and poly(2) and copolysiloxanes poly(1-co-3) were synthesized. Their mesophase structures were investigated by X-ray diffraction, and the electron density profiles along the layer normal were derived. A linear response with the applied electric field was detected in the chiral smectic (C or A(*)) phases of poly(1) and poly(2).

  DOI：

  10.1080/10587250108025704
• 作为产物：
  描述：

  4-羟基-3-硝基苯甲酸 在 氢氧化钾 、 氢气 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 54.0h， 生成 (+)-(S)-3-nitro-4-(2-methylbutyloxy)benzoic acid
  参考文献：
  名称：

  The Mesophase Structure of Chiral Liquid Crystalline Polysiloxanes for Electro-Optical Applications

  摘要：

  Homopolysiloxanes poly(1) and poly(2) and copolysiloxanes poly(1-co-3) were synthesized. Their mesophase structures were investigated by X-ray diffraction, and the electron density profiles along the layer normal were derived. A linear response with the applied electric field was detected in the chiral smectic (C or A(*)) phases of poly(1) and poly(2).

  DOI：

  10.1080/10587250108025704

文献信息

• Liquid crystal compounds, mixtures and devices
  申请人：The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and Northern Ireland Defence Evaluation Research Agency

  公开号：US06337420B1

  公开（公告）日：2002-01-08

  An electroclinic device having two spaced cell walls each bearing electrode structures and treated on at least one facing surface with an alignment layer, a layer of a smectic liquid crystal material enclosed between the cell walls, where the liquid crystal material contains one or more of the compounds described by formula I as defined in the specification.

  具有两个间隔的细胞壁的电动设备，每个电极结构都带有电极结构，并在至少一个面对表面上用对准层进行处理，一层层状液晶材料被封装在细胞壁之间，液晶材料含有本说明书中定义的I公式描述的一种或多种化合物。
• LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES
  申请人：THE SECRETARY OF STATE FOR DEFENCE

  公开号：EP0738312A1

  公开（公告）日：1996-10-23
• US5891358A
  申请人：——

  公开号：US5891358A

  公开（公告）日：1999-04-06
• US6242636B1
  申请人：——

  公开号：US6242636B1

  公开（公告）日：2001-06-05
• US6337420B1
  申请人：——

  公开号：US6337420B1

  公开（公告）日：2002-01-08