4-乙基二苯并噻吩 | 89816-99-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 4-乙基二苯并噻吩
• 英文名称: 4-Ethyldibenzothiophene
• 英文别名: 4-Ethyldibenzothiophen；4-ethyl-dibenzothiophene
• CAS: 89816-99-9
• 化学式: C₁₄H₁₂S
• 分子量: 212.315
• InChiKey: BQANWUIWGKINGF-UHFFFAOYSA-N

物化性质

• 沸点：
  359.3±11.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)
• 保留指数：
  2019;1926

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-乙基二苯并噻吩 在 正丁基锂 、 对甲苯磺酰氯 作用下， 生成 4-Chloro-6-ethyldibenzothiophene
  参考文献：
  名称：

  Katritzky, Alan R.; Perumal, Subbu, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 6, p. 1737 - 1740

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Ethyldibenzothiophen-5,5-dioxid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 5.0h， 以27%的产率得到4-乙基二苯并噻吩
  参考文献：
  名称：

  Boberg, Friedrich; Bruns, Wolfgang; Musshoff, Dagmar, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 72, # 1-4, p. 13 - 32

  摘要：

  DOI：

文献信息

• [EN] NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX COMPOSES TRICYCLIQUES UTILES POUR TRAITER LES TROUBLES INFLAMMATOIRES ET ALLERGIQUES, PROCEDE DE PREPARATION DE CES COMPOSES ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：GLENMARK PHARMACEUTICALS LTD

  公开号：WO2004037805A1

  公开（公告）日：2004-05-06

  The present invention relates to novel tricyclic compounds useful for the treatment of inflammatory conditions, diseases of the central nervous and insulin resistant diabetes.

  本发明涉及用于治疗炎症性疾病、中枢神经系统疾病和胰岛素抵抗性糖尿病的新型三环化合物。
• CHROMOPHORES FOR PHOTOCHROMIC COMPOSITIONS USEFUL FOR THREE DIMENSIONAL DISPLAY APPLICATIONS
  申请人：Gu Tao

  公开号：US20170044373A1

  公开（公告）日：2017-02-16

  Described herein are novel azo-benzene type chromophores. The chromophores are useful in photochromic compositions comprising a polymer matrix and a chromophore, wherein the chromophore is a novel azo-benzene type structure. The photochromic composition is photoresponsive upon irradiation by at least one wavelength of laser light across the visible light spectrum. Photochromic devices which comprise the novel azo-benzene type chromophore compound show significantly higher photoinduced birefringence, higher diffraction efficiency, and brighter images than devices that comprise well known azo-benzene chromophores. The photochromic composition may include a liquid crystal.

  本文描述了一种新型的偶氮苯类色团。这些色团在包括聚合物基质和色团的光致变色组合物中具有用途，其中色团是一种新型的偶氮苯类结构。所述光致变色组合物在可见光谱范围内至少一个激光光波长的照射下具有光响应性。包含新型偶氮苯类色团化合物的光致变色器件显示出比包含众所周知的偶氮苯色团的器件具有显著更高的光诱导双折射、更高的衍射效率和更亮的图像。光致变色组合物可能包括液晶。
• POLYHETEROAROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME
  申请人：YEN FENG-WEN

  公开号：US20190123284A1

  公开（公告）日：2019-04-25

  The present invention discloses a novel polyheteroaromatic compound derived from 7′,7′-dimethyl-5′,7′-dihydrospiro[cyclopenta[1,2-b:5,4-b′-dithiophene-4,13′-indeno[1,2-b]acridine] core structures. The polyheteroaromatic compound can be used as organic electroluminescence materials for use in an organic electroluminescence device and electronic equipment.

  本发明披露了一种新型多杂环芳香化合物，其源自于7′，7′-二甲基-5′，7′-二氢螺[cyclopenta[1,2-b:5,4-b′-二硫杂苯-4,13′-吲哚[1,2-b]蒽]核心结构。该多杂环芳香化合物可用作有机电致发光材料，用于有机电致发光器件和电子设备。
• Histone Deacetylase Inhibitors
  申请人：Moffat David Festus Charles

  公开号：US20100152155A1

  公开（公告）日：2010-06-17

  Compounds of formula: (I), and salts, N-oxides, hydrates and solvates thereof are histone deacetylase inhibitors and are useful in the treatment of cell proliferative diseases, including cancers: (I) wherein Q, V and W independently represent —N═ or —C═; B is a divalent radical selected from: (IIA), (IIB), (IIC), (IID), and (IIE). Wherein the bond marked * is linked to the ring containing Q, V and W through -[Linker1]- and the bond marked ** is linked to A through -[Linker2]-; A is an optionally substituted mono-, bi- or tri-cyclic carbocyclic or heterocyclic ring system; and -[Linker1]- and -[Linker2]- independently represent a bond, or a divalent linker radical.

  式为(I)的化合物、盐、N-氧化物、水合物和溶剂化物均为组蛋白去乙酰化酶抑制剂，可用于治疗细胞增殖性疾病，包括癌症：(I)其中Q、V和W分别代表—N═或—C═；B是从(IIA)、(IIB)、(IIC)、(IID)和(IIE)中选择的二价基团。其中标记为*的键通过-[连接1]-与含有Q、V和W的环相连，标记为**的键通过-[连接2]-与A相连；A是一个可选取代的单环、双环或三环碳环或杂环系统；-[连接1]-和-[连接2]-分别表示键或二价连接基团。
• ENZYME INHIBITORS
  申请人：Davidson Alan Hornsby

  公开号：US20140163042A1

  公开（公告）日：2014-06-12

  Compounds of formula (I) are inhibitors of histone deacetylase activity, and are useful in the treatment of, for example, cancers, wherein R 1 is a carboxylic acid group (—COOH), or an ester group which is hydrolysable by one or more intracellular carboxyesterase enzymes to a carboxylic acid group; R 2 is the side chain of a natural or non-natural alpha amino acid; Y is a bond, —C(═O), —S(═O) 2 —, —C(═O)O—, —C(O)NR 3 —, —C(═S)—NR 3 , —C(═NH)NR 3 or —S(═O) 2 NR 3 — wherein R 3 is hydrogen or optionally substituted C 1 -C 6 alkyl; L 1 is a divalent radical of formula -(Alk 1 ) m (Q) n (Alk 2 ) p - wherein m, n and p are independently 0 or 1, Q is (i) an optionally substituted divalent mono- or bicyclic carbocyclic or heterocyclic radical having 5-13 ring members, or (ii), in the case where both m and p are 0, a divalent radical of formula —X 2 -Q 1 - or -Q 1 -X 2 — wherein X 2 is —O—, S— or NR A — wherein R A is hydrogen or optionally substituted C 1 -C 3 alkyl, and Q 1 is an optionally substituted divalent mono- or bicyclic carbocyclic or heterocyclic radical having 5-13 ring members, Alk 1 and Alk 2 independently represent optionally substituted divalent C 3 -C 7 cycloalkyl radicals, or optionally substituted straight or branched, C 1 -C 6 alkylene, C 2 -C 6 alkenylene, or C 2 -C 6 alkynylene radicals which may optionally contain or terminate in an ether (—O—), thioether (—S—) or amino (—NR A —) link wherein R A is hydrogen or optionally substituted C 1 -C 3 alkyl; X 1 represents a bond; —C(═O); or —S(═O) 2 —; —NR 4 C(═O)—, —C(═O)NR 4 —, —NR 4 C(═O)NR 5 —, —NR 4 S(═O) 2 —, or —S(═O) 2 NR 4 — wherein R 4 and R 5 are independently hydrogen or optionally substituted C 1 -C 6 alkyl; z is 0 or 1; A represents an optionally substituted mono-, bi- or tri-cyclic carbocyclic or heterocyclic ring system wherein the radicals R 1 R 2 NH—Y-L 1 -X 1 -[CH 2 ] Z — and HONHCO-[LINKER]- are attached different ring atoms; and -[Linker]- represents a divalent linker radical linking a ring atom in A with the hydroxamic acid group CONIIOII, the length of the linker radical, from the terminal atom linked to the ring atom of A to the terminal atom linked to the hydroxamic acid group, is equivalent to that of an unbranched saturated hydrocarbon chain of from 3-10 carbon atoms.

  式(I)的化合物是组蛋白去乙酰化酶活性抑制剂，可用于治疗癌症等疾病，其中R1是羧酸基（-COOH）或可由一个或多个细胞内羧酸酯酶水解为羧酸基的酯基；R2是天然或非天然α氨基酸的侧链；Y是键，-C（=O），-S（=O）2-，-C（=O）O-，-C（=O）NR3-，-C（=S）-NR3，-C（=NH）NR3或-S（=O）2NR3-，其中R3是氢或可选取代的C1-C6烷基；L1是式-(Alk1)m(Q)n(Alk2)p-的二价基团，其中m、n和p独立地为0或1，Q是（i）一个可选取代的二价单环或双环碳环或杂环基团，具有5-13个环成员，或（ii）在m和p均为0的情况下，是式-Q1-X2-或-X2-Q1-的二价基团，其中X2是-O-，-S-或-NRA-，其中RA是氢或可选取代的C1-C3烷基，Q1是可选取代的二价单环或双环碳环或杂环基团，具有5-13个环成员，Alk1和Alk2独立地表示可选取代的二价C3-C7环烷基基团，或可选取代的直链或支链，C1-C6烷基，C2-C6烯基或C2-C6炔基基团，其可以可选地含有或终止于醚（-O-），硫醚（-S-）或氨基（-NRA-）链，其中RA是氢或可选取代的C1-C3烷基；X1表示键，-C（=O）或-S（=O）2-；-NR4C（=O）-，-C（=O）NR4-，-NR4C（=O）NR5-，-NR4S（=O）2-或-S（=O）2NR4-，其中R4和R5独立地为氢或可选取代的C1-C6烷基；z为0或1；A表示可选取代的单环、双环或三环碳环或杂环系统，其中基团R1R2NH-Y-L1-X1-[CH2]Z-和HONHCO-[LINKER]-附着在不同的环原子上；-[Linker]-表示将A中的一个环原子与羟酰胺酸基团CONIIOII连接的二价连接基团，连接基团的长度，从连接到A环原子的末端原子到连接到羟酸胺基团的末端原子，相当于从3-10个碳原子的直链饱和碳氢链的长度。

表征谱图