2-tetrahydropyranyl 11-bromoundecanoate | 20256-51-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-tetrahydropyranyl 11-bromoundecanoate
• 英文别名: 11-bromoundecanoic 3,4,5,6-tetrahydro-2H-pyranyl；2-(11-bromo-n-undecanoyloxy) tetrahydro-2H-pyran；2-(11-bromo-n-undecanoyloxy)-tetrahydro-2H-pyran；Tetrahydropyran-2-yl-11-brom-undecanoat；Oxan-2-yl 11-bromoundecanoate
• CAS: 20256-51-3
• 化学式: C₁₆H₂₉BrO₃
• 分子量: 349.308
• InChiKey: AGIIMUWTZFUCFD-UHFFFAOYSA-N

物化性质

• 沸点：
  404.2±30.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-tetrahydropyranyl 11-bromoundecanoate 在 盐酸 、 二苯基膦叠氮化物 、 氨 、 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 乙醚 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 53.67h， 生成 trans-N-(10-{4-[(4-hexylphenyl)azo]phenoxy}decyl)urea
  参考文献：
  名称：

  Langmuir Monolayers of Azobenzene Derivative with a Urea Head Group

  摘要：

  首次合成了一种含有脲头基的偶氮苯（Az）双亲化合物[N-(10-{4-[(4-己基苯基)偶氮]苯氧基})癸基脲（6Az10-Urea）]，并研究了这种双亲化合物在空气-水界面上的铺展行为、形态、吸收光谱特征和光活性。通过与同源结构的羧酸衍生物进行比较，论证了这种单分子层的特征。在 Az 单元的反式和顺式中，6Az10-脲都形成了类似聚合物的稳定单层，这可能表明脲头形成了分子间分叉的 NH-O=C 氢键。与简单的长烷基脲单层不同，本单层在考察温度区域（10-35 °C）内没有出现热相变。在反式-6Az10-脲单层中，Az 单元形成了倾斜的聚集体。在这种聚集状态下，6Az10-脲单层中的反式-顺式光异构化完全受阻，尽管该单层比相应的羧酸衍生物的单层更宽大，而在后者中光异构化继续进行。

  DOI：

  10.1246/bcsj.71.2807
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 11-溴十一酸 在 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以100%的产率得到2-tetrahydropyranyl 11-bromoundecanoate
  参考文献：
  名称：

  Langmuir Monolayers of Azobenzene Derivative with a Urea Head Group

  摘要：

  首次合成了一种含有脲头基的偶氮苯（Az）双亲化合物[N-(10-{4-[(4-己基苯基)偶氮]苯氧基})癸基脲（6Az10-Urea）]，并研究了这种双亲化合物在空气-水界面上的铺展行为、形态、吸收光谱特征和光活性。通过与同源结构的羧酸衍生物进行比较，论证了这种单分子层的特征。在 Az 单元的反式和顺式中，6Az10-脲都形成了类似聚合物的稳定单层，这可能表明脲头形成了分子间分叉的 NH-O=C 氢键。与简单的长烷基脲单层不同，本单层在考察温度区域（10-35 °C）内没有出现热相变。在反式-6Az10-脲单层中，Az 单元形成了倾斜的聚集体。在这种聚集状态下，6Az10-脲单层中的反式-顺式光异构化完全受阻，尽管该单层比相应的羧酸衍生物的单层更宽大，而在后者中光异构化继续进行。

  DOI：

  10.1246/bcsj.71.2807

文献信息

• DICARBA-closo-DODECABORANE DERIVATIVES
  申请人：Institute of Medicinal Molecular Design, Inc.

  公开号：EP1145718A1

  公开（公告）日：2001-10-17

  A medicament comprising as an active ingredient a compound or a physiologically acceptable salt thereof represented by general formula (I): wherein R1 represents a dicarba-closo-dodecaboran-yl which may be substituted with a lower alkyl group, a lower alkenyl group, carboxyl group or the like; R2 represents carboxyl group, a lower alkoxycarbonyl group, or hydroxyl group; and X represents a single bond or a linking group such as -CO-Y1- wherein Y1 represents oxygen or -N(R3)-wherein R3 represents hydrogen or a lower alkyl.

  一种药物，其活性成分为由通式（I）表示的化合物或其生理上可接受的盐，其中R1代表可用较低的烷基基团、较低的烯基基团、羧基等取代的二碳杂十二硼基；R2代表羧基、较低的烷氧羰基，或羟基；X代表单键或类似-CO-Y1-的连接基团，其中Y1代表氧或-N（R3）-，其中R3代表氢或较低的烷基。
• PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM
  申请人：Japan Science and Technology Agency

  公开号：EP1431266B1

  公开（公告）日：2006-07-19
• Self-Assembly of Amphoteric Azopyridine Carboxylic Acids:  Organized Structures and Macroscopic Organized Morphology Influenced by Heat, pH Change, and Light
  作者：Ken'ichi Aoki、Masaru Nakagawa、Kunihiro Ichimura

  DOI：10.1021/ja001790f

  日期：2000.11.1

  In this paper, we describe the synthesis of novel amphoteric azopyridine carboxylic acids (2b, 3a, 3b, 4a, and 4b), having both a carboxyl group as a hydrogen donor and a pyridyl group as an acceptor at each molecular terminus, and their self-organization, which is markedly affected by external stimuli including heat, pH changes, and light. The amphoteric compounds form intermolecular hydrogen bonds between pyridyl and carboxyl groups in a head-to-tail manner in the solid state to give linear pseudopolymer structures, as supported by FT-IR analysis. Heating and cooling across their melting points induced thermoreversible supramolecular depolymerization to and polymerization from small molecular components of monomers and the corresponding carboxylic acid dimers. In alkaline aqueous media, these amphoteric compounds, dissolved as carboxylate anions, were gradually neutralized by atmospheric carbon dioxide, leading to their deposition as novel fibrous materials from 3b and 4b, substituted with a propyl group at the phenyl ring, and as leaflet crystals from 3a and 4a bearing no substituent. FT-IR and X-ray diffraction measurements supported the conclusion that the formation of fibrous materials from 3b and 4b arises from their intermolecular hydrogen bonding in a head-to-tail manner as well as the suppressive effect of propyl substitution on the pi-pi stacking of the molecules. UV irradiation of alkaline solutions of 4b resulted in the modification of the morphology of fibrous materials, probably because the photoisomerized Z-isomer of 4b affected the nucleation process in the fibrous formation. These results suggest that morphological properties of these macroscopic self-assemblages are tunable by appropriate choices of environmental stimuli such as heat, pH, and light.
• DEOXYTHIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0698027A1

  公开（公告）日：1996-02-28
• US6838574B1
  申请人：——

  公开号：US6838574B1

  公开（公告）日：2005-01-04