2-(bromomethyl)-6-methylnaphthalene | 52988-15-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(bromomethyl)-6-methylnaphthalene
• 英文别名: 2-Brommethyl-6-methyl-naphthalin；6-methyl-2-(bromomethyl)naphthalene
• CAS: 52988-15-5
• 化学式: C₁₂H₁₁Br
• 分子量: 235.123
• InChiKey: WXVYIUWVQRUEBW-UHFFFAOYSA-N

物化性质

• 熔点：
  90 °C (decomp)
• 沸点：
  195-200 °C(Press: 14 Torr)
• 密度：
  1.388±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  2-(bromomethyl)-6-methylnaphthalene 在 氢氧化钾 、 sodium hydroxide 、 Acylase Amano 15000 、 sodium ethanolate 、 三乙胺 、 cobalt(II) chloride 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 6.0h， 生成 (2S)-3-(6-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  参考文献：
  名称：

  Studies on Neurokinin Antagonists. 4. Synthesis and Structure-Activity Relationships of Novel Dipeptide Substance P Antagonists: N2-[(4R)-4-Hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl]-N-methyl-N-(phenylmethyl)-3-(2-naphthyl)-L-alaninamide and Its Related Compounds

  摘要：

  As an extension of our studies on discovering a novel substance P (SP) antagonist, we modified the previously reported dipeptide, N-2-[N-2-(1H-indol-3-ylcarbonyl)-L-lysyl]-N-methyl-N-(phenylmethyl)-L-phenylalaninamide (2b). The lysine part in 2b was first optimized to a (2S,4R)hydroxyproline derivative (3h),which is 2-fold more potent than 2b in [H-3]SP binding assay using guinea pig lung membranes. Next we modified the 1H-indol-3-ylcarbonyl part in 3h. Introduction; of a methyl group at the indole nitrogen enhanced the oral activity, while retaining the binding activity. Finally, we modified the phenylalanine part to culminate in the most potent compound 7k (FK888), which is a potent SP antagonist with NK1 selectivity as well as oral activity.

  DOI：

  10.1021/jm00039a022
• 作为产物：
  描述：

  2,6-二甲基萘 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 苯 为溶剂， 反应 1.0h， 以81%的产率得到2-(bromomethyl)-6-methylnaphthalene
  参考文献：
  名称：

  芳烃侧链甲基基团与 N-溴代琥珀酰亚胺的光溴化 - 双（溴甲基） - 和（溴甲基）甲基芳烃的方便和选择性合成 -

  摘要：

  研究了用 N-溴代琥珀酰亚胺 (NBS) 对芳烃上的侧链甲基进行光溴化。苯溶剂中的可见光照射对于提高反应的选择性和产物纯化的效率非常有效。1,4-、1,8-、2,3- 和 2,6-二甲基萘、4,4'-二甲基联苯和对二甲苯与 2.2 mol 当量的 NBS 进行光溴化反应，定量得到相应的双（溴甲基）芳烃，分别。在上述二甲基芳烃与 1.1 摩尔当量 NBS 的光溴化反应中，也以良好的收率获得了（溴甲基）甲基芳烃。

  DOI：

  10.1246/bcsj.65.345

文献信息

• Cyclopropane carboxylic acid esters and cyclopropane(thio)-carboxylic
  申请人：Hoffmann-La Roche Inc.

  公开号：US04276305A1

  公开（公告）日：1981-06-30

  Cyclopropane carboxylic acid esters and cyclopropane(thio)-carboxylic acid, esters, processes for their preparation, as well as pesticidal compositions containing these esters as the active ingredients and methods for the use of the pesticidal compositions are disclosed.

  本文揭示了环丙烷羧酸酯和环丙烷（硫）羧酸酯的制备方法，以及含有这些酯类化合物作为活性成分的杀虫剂配方和使用这些杀虫剂配方的方法。
• Chirality and conformational changes in 4-phenylphenanthrenes and 1-phenylbenzo[c]phenanthrene derivatives
  作者：W.H. Laarhoven、W.H.M. Peters、A.H.A. Tinnemans

  DOI：10.1016/0040-4020(78)88117-4

  日期：1978.1

  NMR data of several 4-phenylphenanthrenes (15, 16) have revealed that the crowding in these compounds does not lead to chirality at temperatures as low as −90°. The easy rotation of the phenyl substituent observed by NMR implies that notwithstanding the phenanthrene moiety in average behaves as a planar part the phenyl group does not experience steric hindrance.

  的几个4- phenylphenanthrenes（NMR数据15，16）已经揭示，这些化合物中的拥挤的温度下不导致手性低至-90°。通过NMR观察到的苯基取代基的容易旋转意味着尽管平均菲部分表现为平面部分，但是苯基没有空间位阻。
• Pyridazinones as pesticides
  申请人：Bayer Aktiengesellschaft

  公开号：US05004744A1

  公开（公告）日：1991-04-02

  Pesticidal substituted pyridazinones of the formula ##STR1## in which R.sup.1 represents alkyl or halogenoalkyl, or represents optionally substituted cycloalkyl, or represents optionally substituted cycloalkylalkyl, or represents optionally substituted aralkyl, R.sup.2 represents halogen or alkyl, R.sup.3 and R.sup.4 independently of one another each represents hydrogen or alkyl, R.sup.5, R.sup.6, R.sup.7, R.sup.8 and R.sup.9 independently of one another each represents hydrogen, halogen, alkyl, halogenoalkyl, alkoxy, halogenoalkoxy, alkylthio or halogenoalkylthio, X represents oxygen or sulphur and Z represents a radical of the formula --CH.dbd.CH--, --CH.sub.2 --O--, --O-- or --S--.

  化学式为##STR1##的杀虫取代吡啶酮，其中R.sup.1代表烷基或卤代烷基，或代表可选取代的环烷基，或代表可选取代的环烷基烷基，或代表可选取代的芳基烷基，R.sup.2代表卤素或烷基，R.sup.3和R.sup.4各自独立地代表氢或烷基，R.sup.5、R.sup.6、R.sup.7、R.sup.8和R.sup.9各自独立地代表氢、卤素、烷基、卤代烷基、烷氧基、卤代烷氧基、烷硫基或卤代烷硫基，X代表氧或硫，Z代表公式--CH.dbd.CH--, --CH.sub.2 --O--, --O--或--S--的基团。
• NOVEL FUSED POLYCYCLIC AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF
  申请人：Takimiya Kazuo

  公开号：US20100065826A1

  公开（公告）日：2010-03-18

  In one embodiment of the present invention, a novel fused polycyclic aromatic compound of the present invention is (a) a compound including a benzodichalcogenophenobenzodichalcogenophene (BXBX) skeleton further having an aromatic ring(s) located outside the BXBX skeleton, or (b) a compound including a BXBX skeleton in which a benzene ring is substituted with a heterocyclic ring. The compound can strengthen intermolecular interaction due to greater π electron orbits. This improves an electron field effect mobility of an organic semiconductor device that is manufactured by use of the compound as an organic semiconductor material. Further, since the number of fused rings included in the compound is small, the compound does not cause problems that generally occur in compounds having an extremely large number of fused rings, i.e., poor solubility in solvent and poor atmospheric stability due to high affinity to oxygen. As a result, the fused polycyclic aromatic compound of the present invention can be preferably used as an organic semiconductor material.

  在本发明的一种实施例中，本发明的新型融合多环芳香化合物是(a) 包括苯二卤素苯并二卤素苯并二卤素苯（BXBX）骨架，进一步具有位于BXBX骨架外部的芳香环，或者(b) 包括一个BXBX骨架，在其中苯环被杂环环取代的化合物。该化合物可以通过更大的π电子轨道强化分子间相互作用。这提高了由该化合物作为有机半导体材料制造的有机半导体器件的电子场效应迁移率。此外，由于化合物中包含的融合环数较少，因此该化合物不会引起通常出现在具有极大融合环数的化合物中的问题，即对溶剂的溶解度差和对氧气亲和力高导致的大气稳定性差。因此，本发明的融合多环芳香化合物可作为有机半导体材料优选使用。
• Metallocene compounds
  申请人：Basell Polyolefine GmbH

  公开号：US07579417B2

  公开（公告）日：2009-08-25

  A metallocene compound of formula (I) wherein: M is an atom of a transition metal; X, same or different, is a hydrogen atom, a halogen atom, or a R, OR, OSO2CF3, OCOR, SR, NR2 or PR2 group, wherein R is C1-C40 hydrocarbon group; L is a divalent bridging group; R1, is a C1-C40 hydrocarbon group; R3 is a C1-C40 hydrocarbon group; R2, R4, R5, R6, R7 and R8, equal to or different from each other, are hydrogen atoms or C1-C40 hydrocarbon groups.

  公式(I)中的一个金属茂化合物，其中：M是过渡金属原子；X，相同或不同，是氢原子，卤素原子或R，OR，OSO2CF3，OCOR，SR，NR2或PR2基团，其中R是C1-C40烃基；L是二价桥接基团；R1是C1-C40烃基；R3是C1-C40烃基；R2，R4，R5，R6，R7和R8，相等或不同，是氢原子或C1-C40烃基。