1-溴-2-甲氧基-3,5-二甲基苯 | 65492-45-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-溴-2-甲氧基-3,5-二甲基苯
• 英文名称: 1-bromo-2-methoxy-3,5-dimethylbenzene
• 英文别名: 2,4-Dimethyl-6-bromoanisole；2-bromo-4,6-dimethyl-anisole；2-Brom-4,6-dimethyl-anisol；5-Brom-4-methoxy-m-xylol；Methyl-(6-brom-2.4-dimethyl-phenyl)-aether；1-bromo-3,5-dimethyl-2-methoxybenzene
• CAS: 65492-45-7
• 化学式: C₉H₁₁BrO
• 分子量: 215.09
• InChiKey: XTDWNQCHQQXPNK-UHFFFAOYSA-N

物化性质

• 沸点：
  107-108 °C(Press: 5 Torr)
• 密度：
  1.342 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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-溴-2-甲氧基-3,5-二甲基苯 在 potassium permanganate 、 氢碘酸 作用下， 以 溶剂黄146 为溶剂， 生成 (2-Hydroxy-3,5-dimethyl-phenyl)-phenyl-sulfon
  参考文献：
  名称：

  Baliah,V.; Uma,M., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 139 - 148

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二甲基苯酚 在 铁粉 溴 、 sodium hydride 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 1-溴-2-甲氧基-3,5-二甲基苯
  参考文献：
  名称：

  Quantitative structure-activity analysis of larvicidal 1-(substituted benzoyl)-2-benzoyl-1-tert-butylhydrazines againstChilo suppressalis

  摘要：

  AbstractThe larvicidal activity of a number of 1‐(substituted benzoyl)‐2‐benzoyl–1 ‐ten‐butylhydrazines against the rice stem borer (Chilo suppressalis Walk.) was measured. Variations in the activity were examined quantitatively using physico‐chemical substituent and molecular parameters and regression analysis. The results indicated that the molecular hydrophobicity and the electron‐withdrawing inductive/ field effect of ontho substituents are favourable to larvicidal activity. The bulkiness of substituents at the meta and para positions was unfavourable to activity, substitution at the para position being more unfavourable than that at the meta position in terms of van der Waals' volume. The 2,3–, 2,5‐ and 2,6‐disubstitution patterns were also unfavourable to activity. Reductions in larvicidal activity caused by the 2,6‐,‐ 2,3,5‐ and 2,3,4,5‐substitutions were greater than those induced by the 2,3‐ and 2,5‐disubstitutions. When the sum of contributions from favourable effects is greater than that from unfavourable effects, the larvicidal activity is expected to be superior to that of the unsubstituted compound.

  DOI：

  10.1002/ps.2780410210

文献信息

• Quinazolinamide derivatives
  申请人：Eggenweiler Hans-Michael

  公开号：US20100234324A1

  公开（公告）日：2010-09-16

  Novel quinazolinamide derivatives of the formula (I), in which R 1 -R 3 have the meanings indicated in Claim 1, are HSP90 inhibitors and can be used for the preparation of a medicament for the treatment of diseases in which the inhibition, regulation and/or modulation of HSP90 plays a role.

  新型喹唑啉酰胺衍生物的化学式（I），其中R1-R3具有权利要求书中指示的含义，是HSP90抑制剂，可用于制备用于治疗HSP90在疾病的抑制、调节和/或调控中发挥作用的药物。
• Development of Unimolecular Tetrakis(piperidin-4-ol) as a Ligand for Suzuki-Miyaura Cross-Coupling Reactions: Synthesis of Incrustoporin and Preclamol
  作者：Jothi L. Nallasivam、Rodney A. Fernandes

  DOI：10.1002/ejoc.201500353

  日期：2015.6

  cross-coupling reactions under aerobic conditions. Various biaryls, terphenyls, and heterocyclic biphenyls were obtained in good to excellent yields. The ligands were also capable of catalyzing the Heck–Mizoroki reaction. As an application, the Suzuki–Miyaura coupling reaction was used in the synthesis of incrustoporin, its analogs, and the drug molecule preclamol.

  多米诺 aza-Cope/aza-Prins 级联反应合成了一类新的 4-羟基哌啶附加单分子、双、三和四单分子化合物，作为有效配体在有氧条件下催化 Suzuki-Miyaura 交叉偶联反应. 以良好到极好的收率获得了各种联芳基、三联苯和杂环联苯。配体还能够催化 Heck-Mizoroki 反应。作为应用，Suzuki-Miyaura 偶联反应用于合成肠壳孔蛋白、其类似物和药物分子 preclamol。
• Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers
  申请人：Sumitmo Chemical Company, Limited

  公开号：US06329478B1

  公开（公告）日：2001-12-11

  The present invention relates to a transition metal complex, a process for producing the same, a polymerization catalsyt containing the transition metal complex and a process for producing polymers which uses the catalysts.

  本发明涉及一种过渡金属配合物，其制备方法，含有该过渡金属配合物的聚合催化剂，以及使用该催化剂生产聚合物的方法。
• The Steric Requirements and the Nature of the Intramolecular Hydrogen Bonding of<i>o</i>-Methoxybenzoic Acid
  作者：Michinori \={O}ki、Minoru Hirota

  DOI：10.1246/bcsj.37.213

  日期：1964.2

  The infrared and ultraviolet absorption spectra of derivatives of salicylic acid with alkyl sub-stituents at the 2-O-, 3- and/or 6-positions have been measured, and much information on the nature of the intramolecular hydrogen bonding has been obtained from these data. The infrared O-H stretching absorption measurement shows that a substituent at the 6-position inhibits the formation of hydrogen bonding

  已经测量了在 2-O-、3-和/或 6-位具有烷基取代基的水杨酸衍生物的红外和紫外吸收光谱，并且已经获得了许多关于分子内氢键性质的信息。这些数据。红外 OH 伸缩吸收测量表明，6 位取代基抑制了氢键的形成，3 位取代基具有一些不利的空间效应。这些数据暗示了羧基与苯核共面的重要性；此外，考虑这些数据，连同红外 C=O 拉伸和紫外光谱数据，得出的结论是，氢键反式异构体 Ia 的结构可能表示为 XXIV、XXV、XXVI 和二十七、
• Olefin polymerization catalyst system useful for polar monomers
  申请人：Baugh Sauders Lisa

  公开号：US20070197751A1

  公开（公告）日：2007-08-23

  This invention relates to copolymers produced by a polymerization method comprising contacting at least one olefin monomer, at least one polar monomer, an optional activator, and a catalyst compound represented by the formula: wherein M is selected from groups 3-11 of the periodic table; L 1 represents a formal anionic ligand, L 2 represents a formal neutral ligand, a is an integer greater than or equal to 1; b is greater than or equal to 0; c is greater than or equal to 1, E is nitrogen or phosphorus, Ar 0 is arene, R 1 -R 4 are, each independently, selected from hydrogen, hydrocarbyl, substituted hydrocarbyl or functional group, provided however that R 3 and R 4 do not form a naphthyl ring, N is nitrogen and O is oxygen.

  本发明涉及通过聚合方法制备的共聚物，该方法包括接触至少一种烯烃单体、至少一种极性单体、可选的活化剂和催化剂化合物。该催化剂化合物的化学式为：其中M从周期表的3-11组中选择；L1表示正离子配体，L2表示中性配体，a是大于等于1的整数；b大于等于0；c大于等于1；E是氮或磷，Ar0是芳烃，R1-R4分别选择自氢、烃基、取代烃基或功能基，但R3和R4不形成萘环，N是氮，O是氧。

表征谱图