3,3',6,6'-tetramethyl-2,2'-biphenol | 477217-44-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3',6,6'-tetramethyl-2,2'-biphenol
• 英文别名: 2-(2-hydroxy-3,6-dimethylphenyl)-3,6-dimethylphenol
• CAS: 477217-44-0
• 化学式: C₁₆H₁₈O₂
• 分子量: 242.318
• InChiKey: XMHINHDDVACPQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5,5'-dichloro-3,3',6,6'-tetramethyl-2,2'-biphenol 在 氢氧化钯 水 作用下， 以 乙醇 、 水 、 三乙胺 、 乙酸乙酯 为溶剂， 25.0 ℃ 、59.47 MPa 条件下， 反应 2.0h， 以to give 11.0 g (94%) of product, mp 110-113° C的产率得到3,3',6,6'-tetramethyl-2,2'-biphenol
  参考文献：
  名称：

  Process for preparing 3,3′,6,6′-tetraalkyl-2,2′-biphenols and 3,3′,6,6′-tetraalkyl-5,5′-dihalo-2,2′-biphenols

  摘要：

  制备公式I化合物的过程

  公开号：

  US06489517B1

文献信息

• [EN] BISPHENOL COMPOUNDS<br/>[FR] COMPOSÉS BISPHÉNOL
  申请人：UNIV PENNSYLVANIA

  公开号：WO2019104153A1

  公开（公告）日：2019-05-31

  The present disclosure provides compounds of formula (I) or salts thereof, wherein R1- R10 and x are defined herein; compositions containing these compounds; methods of inhibiting, reducing, or ameliorating bacterial growth on a substrate using these compound; and products such as dental care products, soaps, antibacterial products, and plastics comprise one or more compounds described herein.

  本公开提供了式（I）的化合物或其盐，其中R1-R10和x在此处定义；含有这些化合物的组合物；使用这些化合物抑制、减少或改善基质上细菌生长的方法；以及包括本文描述的一个或多个化合物的产品，如口腔护理产品、肥皂、抗菌产品和塑料。
• Enantioselective Vanadium-Catalyzed Oxidative Coupling: Development and Mechanistic Insights
  作者：Houng Kang、Madison R. Herling、Kyle A. Niederer、Young Eun Lee、Peddiahgari Vasu Govardhana Reddy、Sangeeta Dey、Scott E. Allen、Paul Sung、Kirsten Hewitt、Carilyn Torruellas、Gina J. Kim、Marisa C. Kozlowski

  DOI：10.1021/acs.joc.8b02083

  日期：2018.12.7

  vanadium catalyst for enantioselective oxidative coupling of phenols is reported, ultimately resulting in a simple monomeric vanadium species combined with a Brønsted or Lewis acid additive. The resultant vanadium complex is found to effect the asymmetric oxidative ortho–ortho coupling of simple phenols and 2-hydroxycarbazoles with good to excellent levels of enantioselectivity. Experimental and quantum

  据报道，用于苯酚的对映选择性氧化偶合反应的反应性更强的手性钒催化剂的发展，最终导致与布朗斯台德或路易斯酸添加剂结合的简单单体钒物种。发现所生成的钒配合物会影响不对称氧化邻位-邻位简单的酚和2-羟基咔唑的对映选择性良好至极好。该机理的实验和量子力学研究表明，添加剂使钒单体聚集。另外，在碳-碳键形成之前，涉及单重态到三重态的交叉。导致对映体产物的两个最低能量的非对映体过渡态在涉及较小的对映体的路径上有很大不同，所述较小的对映体在两个酚部分之间具有较大的扭转应变。
• Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles
  作者：Houng Kang、Young Eun Lee、Peddiahgari Vasu Govardhana Reddy、Sangeeta Dey、Scott E. Allen、Kyle A. Niederer、Paul Sung、Kirsten Hewitt、Carilyn Torruellas、Madison R. Herling、Marisa C. Kozlowski

  DOI：10.1021/acs.orglett.7b02552

  日期：2017.10.20

  The first examples of asymmetric oxidative coupling of simple phenols and 2-hydroxycarbazoles are outlined. Generation of a more vanadium catalyst by ligand design and by addition of an exogenous Brønsted or Lewis acid was found to be key to coupling the more oxidatively resistant phenols. The resultant vanadium complex is both more Lewis acidic and more strongly oxidizing. Good to excellent levels

  概述了简单酚和 2-羟基咔唑的不对称氧化偶联的第一个例子。通过配体设计和添加外源布朗斯特酸或路易斯酸生成更多钒的催化剂被发现是偶联更具抗氧化性的酚的关键。所得的钒络合物具有更强的路易斯酸性和更强的氧化性。可以获得良好至优异的对映选择性，并且简单的研磨即可轻松提供≥95% ee 的产品。
• Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols
  申请人：——

  公开号：US20040049087A1

  公开（公告）日：2004-03-11

  A process for making a compound of the formula I 1

  制备化合物I1的过程
• Polymeric, phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP1571172A1

  公开（公告）日：2005-09-07

  A polymeric, phosphorus-containing composition derived from aryl to aryl coupling of a substituted 2,2'-dihydroxyl-1,1'-binaphthalene or a substituted 2,2'-dihydroxyl-1,1'-biphenylene and phosphonylated at the dioxyl of said structure with at least one diaryloxyphosphite [-P(-O-Ar)2], diarylphosphine [-P(Ar)2] and/or aryl, aryloxyphosphinite [-P(Ar)(-O-Ar)], where each Ar is individually phenyl, substituted phenyl, naphthyl, and substituted naphthyl, provided that the two Ar groups that are directly or indirectly bonded to the same phosphorus atom may be linked to each other by a linking unit selected from direct bond, alkylidene, secondary or tertiary amine, oxygen, sulfide, sulfone, and sulfoxide. Polymerization by aryl to aryl coupling is achieved by direct oxidative coupling of the binaphthalene or biphenylene, copolymerization with an aromatic comonomer, or copolymerization with an aldehyde. The phosphonylation may be performed prior to or after polymerization. The polymeric, phosphorus-containing compositions in combination with a Group VIII metal and, optionally a Lewis acid, are particularly useful in the catalytic hydrocyanation of unsaturated organic compounds, isomerization of unsaturated, branched nitriles to unsaturated linear nitriles, and hydroformylation of unsaturated organic compounds.

  一种聚合物含磷组合物，由取代的 2,2'-二羟基-1,1'-联萘或取代的 2,2'-二羟基-1、或取代的 2,2'-二羟基-1,1'-联苯，并在所述结构的二恶英处用至少一种二芳基亚磷酸[-P(-O-Ar)2]、二芳基膦[-P(Ar)2]和/或芳基、芳氧基膦[-P(Ar)(-O-Ar)]进行膦酰化、其中每个 Ar 单独为苯基、取代苯基、萘基和取代萘基，但直接或间接键合到同一磷原子上的两个 Ar 基团可通过选自直接键、亚烷基、仲胺或叔胺、氧、硫化物、砜和亚砜的连接单元相互连接。芳基与芳基的偶联聚合可通过二萘或联苯的直接氧化偶联、与芳香族共聚单体的共聚或与醛的共聚来实现。膦酰化可在聚合之前或之后进行。聚合物、含磷组合物与第八族金属和路易斯酸（可选）结合，特别适用于不饱和有机化合物的催化加氢氰化、不饱和支链腈与不饱和线性腈的异构化以及不饱和有机化合物的加氢甲酰化。