1-Allyloxy-4-bromo-3-methylbenzene | 309947-10-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Allyloxy-4-bromo-3-methylbenzene
• 英文别名: 4-allyloxy-1-bromo-2-methyl-benzene；1-Bromo-4-allyloxy-2-methylbenzene；1-bromo-2-methyl-4-prop-2-enoxybenzene
• CAS: 309947-10-2
• 化学式: C₁₀H₁₁BrO
• 分子量: 227.101
• InChiKey: JLVNGDLXDMOKBX-UHFFFAOYSA-N

物化性质

• 沸点：
  277.8±25.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Allyloxy-4-bromo-3-methylbenzene 在 四氧化锇 、 N-甲基吲哚酮 、 水 作用下， 以 丙酮 、 叔丁醇 为溶剂， 以85%的产率得到3-(4-Bromo-3-methylphenyloxy)propane-1,2-diol
  参考文献：
  名称：

  Thermotropic and Lyotropic Liquid Crystalline Phases of Rigid Aromatic Amphiphiles

  摘要：

  Rodlike amphiphilic molecules that contain exclusively aromatic building-blocks and no flexible alkyl chains have been synthesized and their mesomorphic properties investigated. These novel compounds bear diol head groups of different size (2,3-dihydroxypropyloxy or 5,6-dihydroxy-3-oxahexyloxy groups) at one end of a biphenyl unit, various aromatic segments (banzyloxy, 4-, 3-, or 2-methylbenzyloxy, phenoxy groups) at the other, and additional methyl substituents in different positions. They were synthesized by using Suzuki cross-coupling reactions as the key steps. Their thermotropic mesomorphism was investigated by means of polarized light optical microscopy, differential scanning calorimetry, and, for enantiotropic phases, by X-ray scattering. The liquid crystallinity of this class of compounds is influenced by protic solvents, such as water and glycerol. Dependent on the temperature and the solvent content, different S-A phases were found. Several mesophases resulting from the frustration of these layer structures (e.g., different columnar phases, optical isotropic mesophases, and nematic phases) were also present. The smectic phases have different degrees of intercalation (S-Ad, S-A2) The columnar phases are supposed to be ribbon structures that result from the collapse of the smectic layers. They occur in some pure compounds or they are induced upon the addition of protic solvents. The particular phase sequences of the different compounds depend mainly on the position of the methyl substituents at the biphenyl cores and are largely determined by the degree of intercalation of the aromatic cores.

  DOI：

  10.1002/1521-3765(20001016)6:20<3821::aid-chem3821>3.0.co;2-8
• 作为产物：
  描述：

  4-溴-3-甲基苯酚 、 3-氯丙烯 在 sodium hydroxide 、 盐酸 、 magnesium sulfate 作用下， 以 异丙醇 、 sodium hydroxide 、 乙醚 为溶剂， 反应 3.0h， 以to give crude 4-allyloxy-1-bromo-2-methyl-benzene (5.67 g) as a yellow oil的产率得到1-Allyloxy-4-bromo-3-methylbenzene
  参考文献：
  名称：

  AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS

  摘要：

  本发明涉及新型氨基吡啶衍生物、其制备方法及其作为药物活性化合物的用途。所述化合物特别作为免疫调节剂。

  公开号：

  US20100087417A1

文献信息

• [EN] NOVEL AMINOBENZOPHENONE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES D'AMINOBENZOPHENONE
  申请人：LEO PHARMA AS

  公开号：WO2005009940A1

  公开（公告）日：2005-02-03

  The invention provides novel compounds according to formula I relates to compounds with the general formula I said compounds being useful, e.g. in the treatment of inflammatory, ophthalmic diseases or cancer.

  该发明提供了根据式I的新化合物，与一般式I相关的化合物，这些化合物在治疗炎症、眼科疾病或癌症等方面具有用途。
• Novel aminobenzophenone compounds
  申请人：Ottosen Rytter Erik

  公开号：US20060166990A1

  公开（公告）日：2006-07-27

  The invention provides novel compounds according to formula I relates to compounds with the general formula I said compounds being useful, e.g. in the treatment of inflammatory, ophthalmic diseases or cancer.

  该发明提供了公式I所示的新化合物，这些化合物与公式I的一般化合物相关，这些化合物在治疗炎症、眼科疾病或癌症等方面是有用的。
• Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists
  申请人：Bolli Martin

  公开号：US08592460B2

  公开（公告）日：2013-11-26

  The invention relates to novel amino-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  本发明涉及新型氨基吡啶衍生物，其制备以及其用作药物活性化合物。这些化合物特别作为免疫调节剂。
• WO2008/114157
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL AMINOBENZOPHENONE COMPOUNDS
  申请人：LEO PHARMA A/S

  公开号：EP1658263A1

  公开（公告）日：2006-05-24