4'-(carbonochloridoyl)-[1,1'-biphenyl]-4-yl acetate | 109233-63-8

• 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: 4'-(carbonochloridoyl)-[1,1'-biphenyl]-4-yl acetate
• 英文别名: 4'-acetoxybiphenyl-4-carboxylic acid chloride；4'-acetoxybiphenyl-4-carbonyl chloride；[4-(4-carbonochloridoylphenyl)phenyl] acetate
• CAS: 109233-63-8
• 化学式: C₁₅H₁₁ClO₃
• 分子量: 274.704
• InChiKey: DVZXBSMBMDKMPP-UHFFFAOYSA-N

物化性质

• 沸点：
  402.8±38.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-(carbonochloridoyl)-[1,1'-biphenyl]-4-yl acetate 在 sodium methylate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (S)-2-methylbutyl 4'-hydroxybiphenyl-4-carboxylate
  参考文献：
  名称：

  Uedaira, Takahiro; Koide, Naoyuki, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2001, vol. 365, p. 23 - 32

  摘要：

  DOI：
• 作为产物：
  描述：

  4'-羟基联苯-4-羧酸 在 氯化亚砜 、 硫酸 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 4'-(carbonochloridoyl)-[1,1'-biphenyl]-4-yl acetate
  参考文献：
  名称：

  A Selective Biomimetic Tweezer for Noradrenaline

  摘要：

  The new highly preorganized tweezer molecule 1 binds noradrenaline in polar solvents with unprecedented specificity. It uses a biomimetic recognition pattern and rejects almost all other neurotransmitters. LB experiments on a film balance reflect the same selectivity if 1 is incorporated into a stearic acid monolayer.

  DOI：

  10.1021/ja035212l

文献信息

• Optically active compound and liquid crystal composition containing the compound
  申请人：Mitsubishi Gas Chemical Co., Inc.

  公开号：US20030054119A1

  公开（公告）日：2003-03-20

  An optically active compound of the following general formula (1) useful as a chiral dbpant, and use thereof, 1 wherein each of X and Y is independently a hydrogen atom or a fluorine atom, R is (C 2 H 5 ) 2 CHCH 2 C*H(CH 3 )—or Ph—C*H(CH 3 )—, A is —Ph(W)—COO—Ph—, —Ph—Ph—COO—, —Cy—COO—Ph—, —Ph(W)—OOC—Ph—COO—, —Ph(W)—OOC—Cy—COO—, —Ph(W)—OOC—Np—COO— or —Np—OOC—, in which Ph— is a phenyl group, —Ph— is a 1,4-phenylene group, —Ph(W)— is —Ph— or monofluoro substituted —Ph—, Cy— is a trans-1,4-cyclohexylene group and —Np— is a 2,6-naphthylene group, and C* is an asymmetric carbon. The optically active compound of the present invention has a large helical twisting power (HTP) of at least 14 and suitably has the property that its induced helical pitch decreases in length with an increase in temperature, so that it has an excellent value as a chiral dopant for a nematic liquid crystal composition.

  以下是通用公式（1）的光学活性化合物的中文翻译： 在该公式中，X和Y各自独立地是氢原子或氟原子，R是（C2H5）2CHCH2C*H(CH3)—或Ph—C*H( )—，A是—Ph(W)—COO—Ph—，—Ph—Ph—COO—，—Cy—COO—Ph—，—Ph(W)—OOC—Ph—COO—，—Ph(W)—OOC—Cy—COO—，—Ph(W)—OOC—Np—COO—或—Np—OOC—，其中Ph—是苯基，—Ph—是1,4-苯基，—Ph(W)—是—Ph—或单氟取代的—Ph—，Cy—是反式1,4-环己基，—Np—是2,6-萘基，C*是一个不对称碳原子。 本发明的光学活性化合物具有至少14的大螺旋扭转功率（HTP），并且其诱导螺旋螺距随温度升高而缩短，因此它作为向列型液晶组合物的手性掺杂剂具有出色的价值。
• Chiral compounds as dopants for liquid crystals
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP1380567A1

  公开（公告）日：2004-01-14

  An optically active compound of the general formula (1),    wherein n is an integer of 4 to 8, X is -Ph-COO-Ph-Ph-, -Ph-Ph-COO-Ph-, -Ph-OOC-Ph-Ph-, -Ph-Ph-OOC-Ph-, -Ph-Ph-Ph-, -Cy-COO-Ph-Ph-, -Ph-Ph-OOC-Cy-, -Ph-OOC-Ph-COO-Ph-, -Ph-OOC-Cy-COO-Ph-, -Ph-OOC-Np-COO-Ph-, -Np-OOC-Ph- or -Ph-COO-Np- in which -Ph- is a 1,4-phenylene group, -Cy- is a trans-1,4-cyclohexylene group and -Np- is a 2,6-naphthylene group, and C* is an asymmetric carbon, and a nematic liquid crystal composition containing the above optically active compound. According to the present invention, there is provided a nematic liquid crystal composition containing the optically active compound having a helical twisting power (HTP) of 10 or more and giving a chiral dopant for a nematic liquid crystal, which chiral dopant has a property that the pitch of its induced helix decreases in length with an increase in temperature.

  根据本发明，提供了一种含有上述光学活性化合物的向列型液晶组合物。所述光学活性化合物具有10或以上的螺旋扭曲力(HTP)，并为向列型液晶提供手性掺杂剂，该手性掺杂剂具有其诱导螺旋的螺距随温度升高而缩短的性质。
• Benzoheterocyclic derivatives
  申请人：Otsuka Pharmaceuticals Co., Ltd.

  公开号：US06335327B1

  公开（公告）日：2002-01-01

  A benzoheterocyclic derivative of the following formula [1]: and pharmaceutically acceptable salts thereof, which show excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as a vasopressin antagonist, vasopressin agonist or oxytocin antagonist.

  以下是该句子的中文翻译： 一种苯并杂环衍生物，其化学式如下： 及其药用盐，表现出优异的抗加压素活性、加压素激动活性和催产素拮抗活性，可用作加压素拮抗剂、加压素激动剂或催产素拮抗剂。
• Novel Ferroelectric Liquid Crystals Derived from Normal Alkyl Esters of (<i>R</i>)-3-Hydroxybutanoic Acid. The Correlation between Molecular Structure and Mesomorphic Properties
  作者：Jun Nakauchi、Keiichi Sakashita、Yoshitaka Kageyama、Seiji Hayashi、Kenji Mori

  DOI：10.1246/bcsj.62.1011

  日期：1989.4.15

  ferroelectric liquid crystals, derived from normal alkyl esters of (R)-3-hydroxybutanoic acid, have been synthesized, and several factors determining their mesomorphic properties have been investigated: (Remark: Graphics omitted.) The smectic polymorphism for these compounds with three aromatic rings is strongly affected by the position and kind of the linkage groups in the core. The effects of the lengths of the

  已经合成了以下系列的新型铁电液晶，它们源自 (R)-3-羟基丁酸的正烷基酯，并研究了决定其介晶特性的几个因素：（备注：省略了图形。）的近晶多态性这些具有三个芳环的化合物受核心中连接基团的位置和种类的影响很大。从结构的角度讨论了两个末端链的长度 (m,n) 和核心中的连接基团对近晶 A 和手性近晶 C 相热稳定性的影响。
• 4-羟基- 4′-联苯腈的合成方法
  申请人：西安淳甄新材料有限公司

  公开号：CN107619381A

  公开（公告）日：2018-01-23

  本发明揭示了一种4‑羟基‑4’‑联苯腈的制备方法，包括以下步骤：4‑羟基联苯(2)和乙酰氯反应生成4‑乙酸联苯(3)，4‑乙酸联苯(3)和草酰氯在三氯化铝催化下反应生成4‑氯羰基‑4’‑乙酸联苯(4)，4‑氯羰基‑4’‑乙酸联苯(4)和氨水反应生成4‑甲酰胺基‑4’‑乙酸联苯(5)，4‑甲酰胺基‑4’‑乙酸联苯(5)在三氯氧膦催化下脱水生成4‑氰基‑4’‑乙酸联苯(6)，4‑氰基‑4’‑乙酸联苯(6)在氢氧化钠存在下脱去乙酰基生成4‑羟基‑4’‑联苯腈(1)。该制备方法工艺简洁，经济环保，适合工业放大要求。