(3-溴苯基)(对甲苯)甲醇 | 33757-34-5

• 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: (3-溴苯基)(对甲苯)甲醇
• 英文名称: 3-bromo-α-(4-methylphenyl)benzenemethanol
• 英文别名: (3-bromophenyl)(p-tolyl)methanol；3-bromo-4'-methylbenzhydrol；3-Brom-4'-methylbenzhydrol；4-Methyl-3'-brombenzhydrol；(3-Bromophenyl)(4-methylphenyl)methanol；(3-bromophenyl)-(4-methylphenyl)methanol
• CAS: 33757-34-5
• 化学式: C₁₄H₁₃BrO
• mdl: MFCD12153610
• 分子量: 277.161
• InChiKey: XZFDYPBRCKHIJS-UHFFFAOYSA-N

物化性质

• 沸点：
  388.0±32.0 °C(Predicted)
• 密度：
  1.388±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2903999090

SDS

(3-溴苯基)(对甲苯)甲醇MSDS英文版

反应信息

• 作为反应物：
  描述：

  (3-溴苯基)(对甲苯)甲醇 在 吡啶 、 chromium(VI) oxide 、 lithium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 sodium azide 、 copper(II) sulfate 、 sodium ascorbate 、 N,N-二异丙基乙胺 、 lithium hexamethyldisilazane 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 四氯化碳 、 正己烷 、 二氯甲烷 、 水 、 丙酮 、 叔丁醇 为溶剂， 反应 55.0h， 生成 (Z)-2-Hydroxy-4-oxo-4-[3-(4-{4-[(6-{6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-hexanoylamino)-methyl]-[1,2,3]triazol-1-ylmethyl}-benzoyl)-phenyl]-but-2-enoic acid
  参考文献：
  名称：

  Biotinylated biphenyl ketone-containing 2,4-dioxobutanoic acids designed as HIV-1 integrase photoaffinity ligands

  摘要：

  The diketo acid (DKA) class of HIV-1 integrase inhibitors are thought to function by chelating divalent metal ions within the enzyme catalytic center. However, differences in mutations conferring resistance among sub-families of DKA inhibitors suggest that multiple binding orientations may exist. In order to facilitate identification of DKA-binding sites, biotin-tagged biphenyl ketone-containing 2,4-dioxobutanoic acids were prepared as DKA photoaffinity probes. Introduction of biotin was obtained by means of Huisgen [3+2] cycloaddition 'click chemistry.' Two photoprobes, 5a and 5b, were prepared bearing short and long linker segments, respectively, between the biotin and DKA nucleus. The greatest inhibitory potency was shown by 5b, which inhibited 3'-processing and strand transfer reactions with IC50 values of > 333 mu M and 12.4 mu M, respectively. In cross-linking assays designed to measure disruption of substrate DNA binding, the photoprobes behaved similarly to a reference DKA inhibitor. Analogues 5a and 5b represent novel photoaffinity ligands, which may be useful in clarifying the HIV-1 binding interactions of DKA inhibitors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2006.07.064
• 作为产物：
  描述：

  (3-溴苯基)(对甲苯)甲酮 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 生成 (3-溴苯基)(对甲苯)甲醇
  参考文献：
  名称：

  Mindl,J.; Vecera,M., Collection of Czechoslovak Chemical Communications, 1972, vol. 37, p. 1143 - 1149

  摘要：

  DOI：

文献信息

• Process for producing benzhydrols
  申请人：K I CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0801048A1

  公开（公告）日：1997-10-15

  There is disclosed a process for producing benzhydrls by reacting an arylmetal compound with an aromatic aldehyde. According to this process, benzhydrols useful as raw materials for medicines and photopolymerization initiators can be produced in a high yield and industrially advantageously.

  本发明揭示了一种通过将芳基金属化合物与芳香醛反应来生产苯甲醇的方法。根据这种方法，可高产率地、在工业上具有优势地生产用作药物原料和光聚合引发剂的苯甲醇。
• de Roos; Rekker; Nauta, Arzneimittel-Forschung/Drug Research, 1971, vol. 21, # 6, p. 818 - 820
  作者：de Roos、Rekker、Nauta

  DOI：——

  日期：——
• Orthoplatinated Triarylphosphite as a Highly Efficient Catalyst for Addition Reactions of Arylboronic Acids with Aldehydes: Low Catalyst Loading Catalysis and a New Tandem Reaction Sequence
  作者：Yuan-Xi Liao、Chun-Hui Xing、Ping He、Qiao-Sheng Hu

  DOI：10.1021/ol800774c

  日期：2008.6.1

  Readily available, air/moisture-stable orthoplatinated triarylphosphite catalyzes the addition reactions of arylboronic acids with aldehydes with the catalyst loading as low as 0.01%. It also cataylzes a new tandem reaction of arylboronic acids with alpha,beta-unsaturated aldehydes to form 1,3-diaryl-1-propanols. Our study provides a new paradigm for the application of orthoplatinated triarylphosphites, and may pave the road to develop other Pt(II) catalysts for such addition reactions and other tandem reactions with such addition reactions as part of the reaction sequence.
• Mindl,J.; Vecera,M., Collection of Czechoslovak Chemical Communications, 1972, vol. 37, p. 1143 - 1149
  作者：Mindl,J.、Vecera,M.

  DOI：——

  日期：——
• Biotinylated biphenyl ketone-containing 2,4-dioxobutanoic acids designed as HIV-1 integrase photoaffinity ligands
  作者：Xue Zhi Zhao、Elena A. Semenova、Chenzhong Liao、Marc Nicklaus、Yves Pommier、Terrence R. Burke

  DOI：10.1016/j.bmc.2006.07.064

  日期：2006.12

  The diketo acid (DKA) class of HIV-1 integrase inhibitors are thought to function by chelating divalent metal ions within the enzyme catalytic center. However, differences in mutations conferring resistance among sub-families of DKA inhibitors suggest that multiple binding orientations may exist. In order to facilitate identification of DKA-binding sites, biotin-tagged biphenyl ketone-containing 2,4-dioxobutanoic acids were prepared as DKA photoaffinity probes. Introduction of biotin was obtained by means of Huisgen [3+2] cycloaddition 'click chemistry.' Two photoprobes, 5a and 5b, were prepared bearing short and long linker segments, respectively, between the biotin and DKA nucleus. The greatest inhibitory potency was shown by 5b, which inhibited 3'-processing and strand transfer reactions with IC50 values of > 333 mu M and 12.4 mu M, respectively. In cross-linking assays designed to measure disruption of substrate DNA binding, the photoprobes behaved similarly to a reference DKA inhibitor. Analogues 5a and 5b represent novel photoaffinity ligands, which may be useful in clarifying the HIV-1 binding interactions of DKA inhibitors. Published by Elsevier Ltd.