1-溴-4-(6-溴己基)苯 | 107396-48-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-溴-4-(6-溴己基)苯
• 英文名称: 1-bromo-4-(6-bromohexyl)benzene
• CAS: 107396-48-5
• 化学式: C₁₂H₁₆Br₂
• 分子量: 320.067
• InChiKey: GBLYKAYFSRNIBE-UHFFFAOYSA-N

物化性质

• 沸点：
  155 °C(Press: 0.18 Torr)
• 密度：
  1.470±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-溴-4-(6-溴己基)苯 在 potassium dihydrogenphosphate 、 sodium methylate 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.17h， 生成 Methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-cyano-3-hydroxybutanoate
  参考文献：
  名称：

  ATP-Citrate Lyase as a Target for Hypolipidemic Intervention. Design and Synthesis of 2-Substituted Butanedioic Acids as Novel, Potent Inhibitors of the Enzyme

  摘要：

  ATP-citrate lyase is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA in many tissues. Inhibitors of the enzyme represent a potentially novel class of hypolipidemic agent, which are anticipated to have combined hypocholesterolemic and hypotriglyceridemic properties. A series of a-substituted butanedioic acids have been designed and synthesized as inhibitors of the enzyme, The best compounds, 58, 68, 71, 74 have reversible K-i's in the 1-3 mu M range against the isolated rat enzyme, As representative of this compound class, 58, has been shown to exert its inhibitory action through a mainly competitive mechanism with respect to citrate and a noncompetitive one with respect to CoA. None of the inhibitors were able to inhibit cholesterol and/or fatty acid synthesis in HepG2 cells. This has been attributed to the adverse physicochemical properties of the molecules leading to a lack of cell penetration. Despite this, a lead structural class of compound has been identified with the potential for modification into potent, cell-penetrant, and efficacious inhibitors of ATP-citrate lyase.

  DOI：

  10.1021/jm960167w
• 作为产物：
  描述：

  4-bromo-1-(6-bromohexan-1-oyl)benzene 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 73.0h， 以72%的产率得到1-溴-4-(6-溴己基)苯
  参考文献：
  名称：

  控制非手性材料中的自发手性：液晶低聚物和螺旋扭曲向列相

  摘要：

  液晶低聚物，即二聚体、三聚体和四聚体，由氰基联苯和亚苄基苯胺基介晶单元组成，通过直链或弯曲的烷氧基或烷基间隔物连接。这些材料虽然由非手性分子构成，但显示出自发的手性螺旋扭曲向列相 (N TB )。我们报告了低聚物的形状与 N TB相稳定性、螺旋螺距长度和倾斜角的温度依赖性、双折射和弹性常数之间的关系。

  DOI：

  10.1039/d1cc07012f

文献信息

• Synthesis, structure and reactivities of [6]paracyclophanes
  作者：Yoshito Tobe、Ken-Ichi Ueda、Kiyomi Kakiuchi、Yoshinobu Odaira、Yasushi Kai、Nobutami Kasai

  DOI：10.1016/s0040-4020(01)87605-5

  日期：1986.1

  (Dewar isomer of 2b). X-Ray structure analysis of the crystalline 2c has revealed that the benzene ring of 2c severely deformed into a boat conformation with deformation angles of α= 20.5° and β = 18.5°. Furthermore, the bond angles of the bridging chain (C(2), C(3), C(4) and C(5)) are considerably expanded from the normal sp3 angle. Vaporphase thermolysis of 2a gives the spiro triene 12 via homolysis

  描述了[6] paracycophanes 2a - c的合成，结构和反应性，这是迄今为止分离的最小的桥接[ n ] paracydophanes。通过用四乙酸铅对[6.2-2]丙烯羧酸（7）进行氧化脱羧，可以有效地合成母体烃2a。通过[6.2.2]丙二烯（4b）的热价异构化（2b的杜瓦异构体），定量合成了8-羰甲氧基衍生物2b。结晶的X-射线结构分析图2c显示，的苯环2c中严重变形为变形角度为α= 20.5°和β= 18.5°的船形。此外，桥接链的键角（C（2），C（3），C（4）和C（5））从法线sp 3角显着扩展。2a的气相热解通过在苄基位置的均相分解得到螺三烯12。用三氟乙酸添加的2a进行加成催化的异构化很容易发生，以提供1：3的间位和邻位异构体13a和14a。酯2b的UV辐射导致杜瓦异构体4b的化合价异构化在进一步辐射下，其缓慢异构化为三氮烷衍生物15a。2a与N-苯基-1,2,4-三唑啉-3
• 화합물, 이를 포함하는 코팅 조성물, 이를 이용한 유기 발광 소자 및 이의 제조방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20190048005A

  公开（公告）日：2019-05-09

  본 명세서는 화합물, 상기 화합물을 포함하는 코팅 조성물, 상기 코팅 조성물을 이용하여 형성된 유기 발광 소자 및 이의 제조 방법에 관한 것이다.

  本规范涉及化合物，包括所述化合物的涂层组合物，以及由所述涂层组合物形成的有机发光器件及其制造方法。
• 플루오렌계 화합물, 이를 이용한 유기 발광 소자 및 이의 제조방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20180092270A

  公开（公告）日：2018-08-17

  본 명세서는 화학식 1의 플루오렌계 화합물, 상기 화학식 1의 플루오렌계 화합물을 포함하는 코팅 조성물, 이를 이용한 유기 발광 소자 및 이의 제조 방법에 관한 것이다.

  本规范涉及一种化学式为1的芴类化合物，包括化学式为1的芴类化合物的涂层组合物，有机发光器件以及其制造方法。
• Ink Composition and Method for Manufacturing Organic Light Emitting Device
  申请人：LG Chem, Ltd.

  公开号：US20210050523A1

  公开（公告）日：2021-02-18

  The present specification relates to an ink composition including: a compound represented by Formula 1; and a solvent represented by the Formula 2, and a method for manufacturing an organic light emitting device formed by using the ink composition.

  本规范涉及一种包括以下成分的油墨组合物：由化学式1表示的化合物；以及由化学式2表示的溶剂，以及一种利用该油墨组合物形成的有机发光器件的制造方法。
• 할로아릴계 화합물의 연속식 제조방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20190004106A

  公开（公告）日：2019-01-11

  본 발명은 연속식 공정을 사용한 할로아릴계 화합물의 제조방법에 관한 것으로, 리튬화(lithiation) 반응에 의한 발열을 빠르게 제열함으로써, 부산물의 생성을 감소시킬 수 있으며, 규모 확대(scale-up)시에도 할로아릴 화합물을 고수율로 생산하는 것이 가능한 연속식 공정을 제공한다.

  本发明涉及使用连续工艺制备卤代芳基化合物的方法，通过快速冷却锂化反应的放热，可以减少副产物的生成，并提供了一种可以在规模化生产时高产率地生产卤代芳基化合物的连续工艺。