3-bromo-5-tert-butyl-biphenyl-2-ol | 620987-92-0

• 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-bromo-5-tert-butyl-biphenyl-2-ol
• 英文别名: 6-Brom-4-tert.-butyl-2-phenyl-phenol；5-Brom-6-hydroxy-3-tert.-butyl-biphenyl；3-Brom-5-tert-butyl-biphenyl-2-ol；2-Bromo-4-tert-butyl-6-phenylphenol
• CAS: 620987-92-0
• 化学式: C₁₆H₁₇BrO
• 分子量: 305.214
• InChiKey: MBOSCOGZCHYCDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 3-bromo-5-tert-butyl-biphenyl-2-ol 在 四(三苯基膦)钯 sodium carbonate 、 盐酸 作用下， 以 二甲氧基乙烷 、 水 、 甲醇 、 乙酸乙酯 为溶剂， 以92%的产率得到2-(5-Tert-butyl-3-phenyl-2-phenylmethoxyphenyl)phenol
  参考文献：
  名称：

  Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom

  摘要：

  新的配体和含有桥联双芳香配体的组合物被披露，这些配体催化单体聚合成聚合物。这些带有金属中心的催化剂具有高性能特征，包括更高的共聚单体并入乙烯/烯烃共聚物中，其中这些烯烃例如为1-辛烯、丙烯或苯乙烯。这些催化剂还将丙烯聚合成同构聚丙烯。

  公开号：

  US20040014950A1
• 作为产物：
  描述：

  4-叔-丁基-2-苯基苯酚 在 四氯化碳 、 溴 作用下， 生成 3-bromo-5-tert-butyl-biphenyl-2-ol
  参考文献：
  名称：

  Alkyl-bromo-hydroxy-diphenyls

  摘要：

  公开号：

  US02092725A1

文献信息

• Catalyst Compounds And Use Thereof
  申请人：Giesbrecht Garth R.

  公开号：US20080182952A1

  公开（公告）日：2008-07-31

  This invention relates to a transition metal catalyst compound represented by the structure: wherein: each X is, independently, a hydride, a halogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl; w is 2; each R 1 , R 2 , R 3 , and R 4 is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group, or independently, may join together to form a C 4 to C 62 cyclic or polycyclic ring structure; each R 5 , R 6 , and R 7 is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group, or independently, may join together to form a C 4 to C 62 cyclic or polycyclic ring structure; each R 8 and R 9 , is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group; R 10 is a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group; x is 1, 2, 3 or 4; L is a neutral ligand bonded to M; M is titanium, zirconium or hafnium; and m is 0, 1 or 2.

  本发明涉及一种过渡金属催化剂化合物，其结构表示为：其中：每个X独立地是氢化物、卤素、烃基、取代烃基、卤代烃基或取代卤代烃基；w为2；每个R1、R2、R3和R4独立地是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅基或另一种带负离子杂原子的基团，或独立地结合形成C4到C62的环状或多环结构；每个R5、R6和R7独立地是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅基或另一种带负离子杂原子的基团，或独立地结合形成C4到C62的环状或多环结构；每个R8和R9独立地是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅基或另一种带负离子杂原子的基团；R10是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅基或另一种带负离子杂原子的基团；x为1、2、3或4；L是与M配位的中性配体；M是钛、锆或铪；m为0、1或2。
• PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS
  申请人：Leclerc Margarete K.

  公开号：US20100048841A1

  公开（公告）日：2010-02-25

  Ligands, compositions, and metal-ligand complexes that incorporate phenol-heterocyclic compounds are disclosed that are useful in the catalysis of transformations such as the polymerization of monomers into polymers. The catalysts have high performance characteristics, including high comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, propylene or styrene. The catalysts particularly polymerize styrene to form polystyrene.

  本发明揭示了包含酚-杂环化合物的配体、组合物和金属配合物，这些配体、组合物和金属配合物在催化转化中非常有用，例如将单体聚合成聚合物。催化剂具有高性能特征，包括将共聚单体高度并入乙烯/烯烃共聚物中，其中所述烯烃例如为1-辛烯、丙烯或苯乙烯。该催化剂特别是将苯乙烯聚合成聚苯乙烯。
• Catalyst compounds are use thereof
  申请人：ExxonMobile Chemical Patents Inc.

  公开号：US07767773B2

  公开（公告）日：2010-08-03

  This invention relates to a transition metal catalyst compound represented by the structure: wherein: each X is, independently, a hydride, a halogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl; w is 2; each R1, R2, R3, and R4 is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group, or independently, may join together to form a C4 to C62 cyclic or polycyclic ring structure; each R5, R6, and R7 is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group, or independently, may join together to form a C4 to C62 cyclic or polycyclic ring structure; each R8 and R9, is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group; R10 is a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group; x is 1, 2, 3 or 4; L is a neutral ligand bonded to M; M is titanium, zirconium or hafnium; and m is 0, 1 or 2.

  本发明涉及一种由以下结构表示的过渡金属催化剂化合物：其中：每个X独立地是氢化物、卤素、烃基、取代烃基、卤代烃基或取代卤代烃基；w为2；每个R1、R2、R3和R4独立地是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅烷或另一个带有阴离子杂原子的基团，或独立地可以结合形成C4到C62的环状或多环状环结构；每个R5、R6和R7独立地是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅烷或另一个带有阴离子杂原子的基团，或独立地可以结合形成C4到C62的环状或多环状环结构；每个R8和R9独立地是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅烷或另一个带有阴离子杂原子的基团；R10是氢、烃基、取代烃基、卤代烃基、取代卤代烃基、卤素、醇酸盐、硫化物、酰胺、磷化物、硅烷或另一个带有阴离子杂原子的基团；x为1、2、3或4；L是与M结合的中性配体；M为钛、锆或铪；m为0、1或2。
• Catalyst compounds and use thereof
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP2112173A1

  公开（公告）日：2009-10-28

  This invention relates to a transition metal catalyst compound represented by the structure: wherein: each X is, independently, a hydride, a halogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl; w is 2; each R1, R2, R3, and R4 is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group, or independently, may join together to form a C4 to C62 cyclic or polycyclic ring structure; each R5, R6, and R7 is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group, or independently, may join together to form a C4 to C62 cyclic or polycyclic ring structure; each R8 and R9, is, independently, a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group; R10 is a hydrogen, a hydrocarbyl, a substituted hydrocarbyl, a halocarbyl, or a substituted halocarbyl, a halogen, an alkoxide, a sulfide, an amide, a phosphide, a silyl or another anionic heteroatom-containing group; x is 1, 2, 3 or 4; L is a neutral ligand bonded to M; M is titanium, zirconium or hafnium; and m is 0, 1 or 2.

  本发明涉及一种由以下结构表示的过渡金属催化剂化合物： 其中每个 X 独立地是氢化物、卤素、烃基、取代的烃基、卤代羰基或取代的卤代羰基； w 是 2；每个 R1、R2、R3 和 R4 独立地是氢、烃基、取代的烃基、卤代羰基、取代的卤代羰基、卤素、烷氧基、硫化物、酰胺、膦化物、硅烷基或另一种含阴离子杂原子的基团，或独立地可连接在一起形成 C4 至 C62 的环状或多环状结构；每个 R5、R6 和 R7 独立地是氢、烃基、取代的烃基、卤代羰基、取代的卤代羰基、卤素、烷氧基、硫化物、酰胺、磷化物、硅烷基或其他含阴离子杂原子的基团，或可独立地连接在一起形成 C4 至 C62 的环状或多环状结构；每个 R8 和 R9 独立地是氢、烃基、取代的烃基、卤代羰基或取代的卤代羰基、卤素、烷氧基、硫化物、酰胺、磷化物、硅烷基或其他含阴离子杂原子的基团；R10 是氢、烃基、取代的烃基、卤代羰基或取代的卤代羰基、卤素、烷氧基、硫化物、酰胺、磷化物、硅烷基或另一种含阴离子杂原子的基团；x 是 1、2、3 或 4；L 是与 M 键合的中性配体；M 是钛、锆或铪；以及 m 是 0、1 或 2。
• Kiesewetter, Elizabeth T.; Randoll, Soeren; Radlauer, Madalyn, Journal of the American Chemical Society, 2010, vol. 132, p. 5566 - 5567
  作者：Kiesewetter, Elizabeth T.、Randoll, Soeren、Radlauer, Madalyn、Waymouth, Robert M.

  DOI：——

  日期：——