1,4-dihydroxy-5,6,7,8-tetrahydro-2-naphthaldehyde | 125500-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4-dihydroxy-5,6,7,8-tetrahydro-2-naphthaldehyde
• 英文别名: 1,4-dihydroxynaphthalene-2-carboxaldehyde；2-formyl-1,4-dihydroxynaphthalene；1,4-dihydroxy-2-naphthaldehyde；1,4-dihydroxy-naphthaldehyde；1,4-dihydroxy-[2]naphthaldehyde；1,4-Dihydroxy-[2]naphthaldehyd；1,4-Dihydroxy-2-naphthalenecarboxaldehyde；1,4-dihydroxynaphthalene-2-carbaldehyde
• CAS: 125500-00-7
• 化学式: C₁₁H₈O₃
• 分子量: 188.183
• InChiKey: AJELWCGKDYYYRF-UHFFFAOYSA-N

物化性质

• 熔点：
  202 °C
• 沸点：
  389.8±22.0 °C(Predicted)
• 密度：
  1.424±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,4-dihydroxy-5,6,7,8-tetrahydro-2-naphthaldehyde 在 吡啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 64.0h， 生成 5-benzyloxy-7,12-dioxo-7,12-dihydrodinaphtho[2,3-b:2',1'-d]furan-6-carbaldehyde
  参考文献：
  名称：

  天然存在的五环二萘并呋喃醌Balsaminone A的合成

  摘要：

  描述了天然产物Balsaminone A（二萘并呋喃醌）的简短合成。合成的关键步骤是将1，4-二羟基-2-萘醛与2，3-二氯萘醌进行碱诱导的偶联，直接得到五环二萘并呋喃，然后通过相应的苯酚将醛转化为所需的甲氧基。通过X射线晶体学证实了关键的五环中间体的结构的合成证实了天然产物的原始结构分配。

  DOI：

  10.1021/jo201395n
• 作为产物：
  描述：

  1,4-二羟基萘 在 乙醚 、 氢氰酸 、 zinc(II) chloride 作用下， 生成 1,4-dihydroxy-5,6,7,8-tetrahydro-2-naphthaldehyde
  参考文献：
  名称：

  Morgan; Vining, Journal of the Chemical Society, 1921, vol. 119, p. 181

  摘要：

  DOI：

文献信息

• Polymerizable compound, polymerizable composition, polymer, and optically anisotropic material
  申请人：ZEON CORPORATION

  公开号：US09512251B2

  公开（公告）日：2016-12-06

  The present invention relates to: a polymerizable compound (I), wherein Y1 to Y6 are a chemical single bond, —O—C(═O)—, —C(═O)—O— or the like, G1 and G2 are a divalent aliphatic group, Z1 and Z2 are an alkenyl group, Ax is a fused ring group represented by a formula (II), wherein X is —NR3—, an oxygen atom, a sulfur atom or the like, R3 is a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, and D is a substituted or unsubstituted ring having 1 to 20 carbon atoms that includes at least one nitrogen atom, Ay is a hydrogen atom, an alkyl group, A1 is a trivalent aromatic group or the like, A2 and A3 are a divalent aromatic group having 6 to 30 carbon atoms or the like, and Q1 is a hydrogen atom, or an alkyl group having 1 to 6 carbon atoms.

  本发明涉及：一种可聚合化合物（I），其中Y1至Y6是化学单键、—O—C(═O)—、—C(═O)—O—或类似结构，G1和G2是二价脂肪族基团，Z1和Z2是烯丙基团，Ax是由公式（II）表示的融合环组，其中X是—NR3—，一个氧原子，一个硫原子或类似结构，R3是氢原子或具有1至6个碳原子的烷基团，D是包含至少一个氮原子的有1至20个碳原子的取代或未取代环，Ay是氢原子、烷基团，A1是三价芳香族基团或类似结构，A2和A3是具有6至30个碳原子的二价芳香族基团或类似结构，Q1是氢原子，或具有1至6个碳原子的烷基团。
• POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND
  申请人：ZEON CORPORATION

  公开号：US20150175564A1

  公开（公告）日：2015-06-25

  A polymerizable compound has a practical low melting point, excellent solubility in a general-purpose solvent, and can produce an optical film at low cost, exhibits low reflected luminance, and achieves uniform conversion of polarized light over a wide wavelength band, an optically anisotropic article. A carbonyl compound is useful as a raw material for producing the polymerizable compound. (In the formula (I), Y 1 to Y 8 represent —C(═O)—O—, G 1 and G 2 represent a C 1-20 divalent linear aliphatic group, Z 1 and Z 2 represent a C 2-10 alkenyl group that is unsubstituted, or substituted with a halogen atom, A x represents a C 2-30 organic group with at least one aromatic ring, A y represents a hydrogen atom or C 1-20 alkyl group, A 1 represents a trivalent aromatic group, A 2 and A 3 represent a C 3-30 divalent alicyclic hydrocarbon group, A 4 and A 5 represent a C 6-30 divalent aromatic group or the like, and Q 1 represents a hydrogen atom.)

  一种可聚合的化合物具有实用的低熔点、在通用溶剂中良好的溶解性，并且可以以低成本制备光学薄膜，表现出较低的反射亮度，并且在宽波长范围内实现偏振光的均匀转换，是一种光学各向异性材料。一种羰基化合物可作为制备可聚合化合物的原料。（在式（I）中，Y1至Y8代表—C(═O)—O—，G1和G2代表C1-20二价线性脂肪族基团，Z1和Z2代表未取代或取代有卤素原子的C2-10烯基基团，Ax代表至少具有一个芳香环的C2-30有机基团，Ay代表氢原子或C1-20烷基基团，A1代表三价芳香族基团，A2和A3代表C3-30二价脂环碳氢基团，A4和A5代表C6-30二价芳香族基团或类似物，Q1代表氢原子。）
• Synthesis, structure–activity relationship, and p210bcr-abl protein tyrosine kinase activity of novel AG 957 analogs☆
  作者：Gurmeet Kaur、Ven L. Narayanan、Prabhakar A. Risbood、Melinda G. Hollingshead、Sherman F. Stinson、Ravi K. Varma、Edward A. Sausville

  DOI：10.1016/j.bmc.2004.12.003

  日期：2005.3.1

  A series of novel, sterically hindered lipophilic analogs of AG 957 was designed and synthesized as potential protein tyrosine kinase (PTK) inhibitors. The in vitro activity, in vivo anti-leukemia activity, and pharmacology of these PTK inhibitors were studied. Some aspects of the structure-activity relationship associated with the carboxylic acid, phenol ring, and linker modifications are discussed

  设计并合成了一系列新型的，空间受限的AG 957亲脂性类似物，作为潜在的蛋白酪氨酸激酶（PTK）抑制剂。研究了这些PTK抑制剂的体外活性，体内抗白血病活性和药理作用。讨论了与羧酸，苯酚环和连接基修饰相关的结构活性关系的某些方面。我们已经证明1，4-氢醌部分对于活性是必不可少的，并且位阻酯有助于增强体内功效。Adaphostin（NSC 680410）已作为改良的化合物出现，具有最大的体内抗白血病中空纤维活性，与最初的铅化合物AG 957一致。目前，adaphostin正在临床前毒理学研究中。
• METHOD OF PRODUCING POLYMERIZABLE COMPOUND, AND SOLUTION OF POLYMERIZABLE COMPOUND
  申请人：ZEON CORPORATION

  公开号：US20200283399A1

  公开（公告）日：2020-09-10

  Disclosed is a method of producing a polymerizable compound that enables production of, in high yield, a polymerizable compound used for producing an optical film or the like. The disclosed method of producing a polymerizable compound comprises reacting a compound represented by formula (I) with a compound represented by formula (II) in an organic solvent in which a base having a pKa from 6.1 to 9.5 is present, so as to obtain a reaction solution containing a polymerizable compound represented by formula (III).

  公开了一种生产可聚合化合物的方法，该方法能够高产地生产用于制备光学薄膜等的可聚合化合物。所公开的生产可聚合化合物的方法包括在含有具有pKa值在6.1至9.5之间的碱的有机溶剂中，将式(I)所代表的化合物与式(II)所代表的化合物反应，以获得含有式(III)所代表的可聚合化合物的反应溶液。
• [EN] POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY<br/>[FR] COMPOSÉ POLYMÉRISABLE ET CORPS OPTIQUEMENT ANISOTROPE
  申请人：DAINIPPON INK & CHEMICALS

  公开号：WO2017079867A1

  公开（公告）日：2017-05-18

  There is provided a polymerizable composition, by which discoloration or alignment defects are less likely to occur when a filmy polymer, which is obtained by adding a polymerizable compound to the polymerizable composition and polymerizing this composition, is irradiated with ultraviolet light. There are also provided a polymer obtained by polymerizing the polymerizable composition, and an optically anisotropic body using the polymer. The present invention provides a polymerizable low-wavelength dispersive or polymerizable reverse-wavelength dispersive compound having a partial structure represented by Formula (Z-0). Further, the present invention provides a composition containing the compound; a polymer obtained by polymerizing the composition; and an optically anisotropic body obtained by using the polymer.

  提供一种可聚合的组合物，通过该组合物得到的薄膜聚合物在紫外光照射时，不太容易发生变色或排列缺陷。还提供了通过聚合该聚合物组合物得到的聚合物，以及使用该聚合物的光学各向异性体。本发明提供了一种具有由式（Z-0）表示的部分结构的可聚合低波长色散或可聚合反波长色散化合物。此外，本发明提供了一种含有该化合物的组合物；通过聚合该组合物得到的聚合物；以及通过使用该聚合物得到的光学各向异性体。

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