4-[(S)-2-methylbutoxycarbonyl]benzoic acid | 91577-96-7

• 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: 4-[(S)-2-methylbutoxycarbonyl]benzoic acid
• 英文别名: S-p-(2-methylbutyloxycarbonyl)benzoic acid；4-[(2S)-2-methylbutoxy]carbonylbenzoic acid
• CAS: 91577-96-7
• 化学式: C₁₃H₁₆O₄
• mdl: MFCD00804655
• 分子量: 236.268
• InChiKey: QTTBUTJSNNUYAM-VIFPVBQESA-N

物化性质

• 沸点：
  371.5±25.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(S)-2-methylbutoxycarbonyl]benzoic acid 生成 S-p-(2-methylbutyloxycarbonyl)benzoyl chloride
  参考文献：
  名称：

  INUKAI, TAKASI;FURUKAVA, KEHNDZI;TEHRADZIMA, KANEHTSUGU;SAJTO, SINITI;ISO+

  摘要：

  DOI：
• 作为产物：
  描述：

  S-p-(2-methylbutyloxycarbonyl)benzaldehyde 生成 4-[(S)-2-methylbutoxycarbonyl]benzoic acid
  参考文献：
  名称：

  INUKAI, TAKASI;FURUKAVA, KEHNDZI;TEHRADZIMA, KANEHTSUGU;SAJTO, SINITI;ISO+

  摘要：

  DOI：

文献信息

• Ferroelectric liquid crystal compounds and liquid crystal compositions
  申请人：Hitachi, Ltd.

  公开号：US04576732A1

  公开（公告）日：1986-03-18

  The present invention is characterized by a smectic liquid crystal compound represented by the following formula: ##STR1## wherein R is selected from alkyl and alkoxy groups; X from ##STR2## m and n are natural numbers; and R* is an optically active group containing an asymmetric carbon atom, and a liquid crystal composition containing said compound as a component. This compound is excellent in optical stability and high-speed response.

  本发明的特征在于由以下公式表示的一种膦相液晶化合物：其中，R选自烷基和烷氧基；X选自；m和n为自然数；R*是含有不对称碳原子的光学活性基团，以及含有该化合物作为组分的液晶组合物。该化合物在光学稳定性和高速响应方面表现出色。
• Lactic acid derivatives and liquid crystal compositions containing the
  申请人：Dainippon Ink and Chemicals, Inc.

  公开号：US05324451A1

  公开（公告）日：1994-06-28

  A compound represented by formula (I): ##STR1## wherein R.sub.1 represents an alkyl group having from 1 to 18 carbon atoms; R.sub.2 represents an alkyl group having from 2 to 16 carbon atoms; rings A, B, C, and D each represents a 1,4-phenylene group or a 1,4-phenylene group having one or two halogen atoms; Y represents a single bond, ##STR2## m and n each represents 0 or 1; p represents 0, 1, or 2; q represents 0 or an integer of from 1 to 6; and C* and C** each represents an asymmetric carbon atom in an (S)- or (R)-configuration, and a liquid crystal composition containing the compound of formula (I). The compound of formula (I) is a chiral liquid crystal compound exhibiting large spontaneous polarization, a long helical pitch, an SC* phase in a broad temperature range including room temperature, satisfactory orientation, and a high rate of response.

  化合物的化学式为(I)：##STR1## 其中，R.sub.1代表具有1到18个碳原子的烷基；R.sub.2代表具有2到16个碳原子的烷基；环A、B、C和D分别代表1,4-苯基或带有一或两个卤素原子的1,4-苯基；Y代表单键，##STR2## m和n各自代表0或1；p代表0、1或2；q代表0或1到6的整数；C*和C**各自代表(S)-或(R)-构型的不对称碳原子，以及含有化合物(I)的液晶组合物。化合物(I)是一种手性液晶化合物，具有大的自发极化、长的螺旋周期、在包括室温在内的广泛温度范围内的SC*相、令人满意的取向和高响应速率。
• Novel lactic acid derivatives and liquid crystal compositions containing the same
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP0329153A2

  公开（公告）日：1989-08-23

  compound represented by formula (I): wherein R1 represents an alkyl group having from 1 to 18 carbon atoms; R2 represents an alkyl group having from 2 to 16 carbon atoms; rings A, B, C, and D each represents a 1,4-phenylene group or a 1,4-phenylene group having one or two halogen atoms; Y represents a single bond, m and n each represents 0 or 1; p represents 0, 1, or 2; q represents 0 or an integer of from 1 to 6; and C* and C" each represents an asymmetric carbon atom in an (S)- or (R)-configuration, and a liquid crystal composition containing the compound of formula (I). The compound of formula (I) is a chiral liquid crystal compound exhibiting large spontaneous polarization, a long helical pitch, an SC* phase in a broad temperature range including room temperature, satisfactory orientation, and a high rate of response.

  式 (I) 所代表的化合物： 其中 R1 代表具有 1 至 18 个碳原子的烷基；R2 代表具有 2 至 16 个碳原子的烷基；环 A、B、C 和 D 各代表 1，4-亚苯基或具有一个或两个卤素原子的 1，4-亚苯基；Y 代表单键、 m和n各自代表0或1；p代表0、1或2；q代表0或1至6的整数；以及C*和C "各自代表(S)-或(R)-构型的不对称碳原子，以及含有式(I)化合物的液晶组合物。式（I）化合物是一种手性液晶化合物，具有较大的自发偏振、较长的螺旋间距、在包括室温在内的较宽温度范围内的 SC* 相、令人满意的取向性和较高的响应速度。
• Synthesis and Structure of Poly(<i>N</i>-propargylbenzamides) Bearing Chiral Ester Groups
  作者：Junichi Tabei、Ryoji Nomura、Toshio Masuda

  DOI：10.1021/ma021532y

  日期：2003.2.1

  N-Propargylbenzamides having chiral ester groups on the benzene ring, 1-6, were polymerized with (nbd)Rh+ [eta(6)-C6H5B-(C6H5)(3)] to afford soluble polymers with moderate molecular weights (M-n = 34 000-100 000) in good yield. The H-1 NMR spectra demonstrated that the polymers have stereoregular structures (cis = 91-100%). The influence of the substitution position for the chiral ester group on the secondary structure was examined. From the comparison of the CD effects of poly(l)-poly(3), the meta-substituted polymer was proven to possess a one-handed helical conformation. When the chiral center was closer to the benzene ring or chiral ester group was bulkier, the polymers showed more intense chiroptical. properties. A variable temperature CD spectroscopic study showed that the helical structure of poly(2) and poly(6) was thermally stable. However, the CD spectra of poly(4) and poly(5) were inverted in sign on temperature change in chloroform or toluene, meaning that the helix inversion took place. The temperature of helix inversion could be controlled by copolymerizing with N-propargylbenzamide (7).
• INUKAI, TAKASI;FURUKAVA, KEHNDZI;TEHRADZIMA, KANEHTSUGU;SAJTO, SINITI;ISO+
  作者：INUKAI, TAKASI、FURUKAVA, KEHNDZI、TEHRADZIMA, KANEHTSUGU、SAJTO, SINITI、ISO+

  DOI：——

  日期：——