1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol | 880093-98-1

• 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: 1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol
• CAS: 880093-98-1
• 化学式: C₁₀H₁₁F₃O
• 分子量: 204.192
• InChiKey: FZZDFLJJPIICBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲基-5-(三氟甲基)苯甲醛 、 甲基溴化镁 在 水 、 氯化铵 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol
  参考文献：
  名称：

  Piperidine derivative and use thereof

  摘要：

  本发明提供了一种由以下公式表示的化合物： 其中Ar是一个芳基基团，可选地具有取代基，R是一个C1-6烷基基团，R1是一个氢原子，一个可选地具有取代基的烃基团，酰基团或杂环基团，X是一个氧原子或一个可选地具有取代基的亚胺基团，环A是一个哌啶环，可选地进一步具有取代基，环B是一个苯环，具有取代基，或其盐，以及含有该化合物的预防或治疗下尿道异常等的药剂。

  公开号：

  US20060142337A1

文献信息

• BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS
  申请人：Abdur-Rashid Kamaluddin

  公开号：US20130184479A1

  公开（公告）日：2013-07-18

  The present disclosure relates to biaryl diphosphine ligands of the formula (B), processes for the production of the ligands and the use of the ligands in metal catalysts for asymmetric synthesis. The disclosure also relates to intermediates used for the production of the biaryl diphosphine ligand. (Formula (B))

  本公开涉及公式（B）的双芳基二膦配体，制备该配体的过程，以及将该配体用于金属催化剂的不对称合成中。本公开还涉及用于制备双芳基二膦配体的中间体。（公式（B））
• DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20140171655A1

  公开（公告）日：2014-06-19

  The present invention provides a novel ligand represented by the following formula and a novel transition metal complex having the ligand, which shows superior enantioselectivity and catalytic efficiency, particularly high catalyst activity, in various asymmetric synthesis reactions. A transition metal complex having, as a ligand, a compound represented by the formula wherein R 4 is a hydrogen atom or a C 1-6 alkyl group optionally having substituent(s), and R 5 and R 6 are each a C 1-6 alkyl group optionally having substituent(s), or the formula is a group represented by the formula wherein ring B is a 3- to 8-membered ring optionally having substituent(s).

  本发明提供了一种新型配体，其表示为以下公式，并提供了一种具有该配体的新型过渡金属配合物，在各种不对称合成反应中表现出优异的对映选择性和催化效率，特别是高催化活性。该过渡金属配合物具有以下配体：其中R4是氢原子或具有取代基的C1-6烷基，R5和R6分别是具有取代基的C1-6烷基，或者公式中的环B是具有取代基的3-8元环。
• METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE
  申请人：Kusakabe Taichi

  公开号：US20130190540A1

  公开（公告）日：2013-07-25

  A method for preparing optically active 1-bromo-1-[3,5-bis(trifluoromethyl)-phenyl]ethane having a high optical purity, which comprises the step of brominating optically active 1-[3,5-bis(trifluoromethyl)phenyl]ethanol by using, as a brominating agent, (a) a combination of a phosphorus halide and hydrogen bromide, (b) a combination of 1,2-dibromo-1,1,2,2-tetrachloroethane and an organic phosphorous compound represented by the general formula (I): P(R 1 )(R 2 )(R 3 ) (in the formula, R 1 , R 2 , and R 3 independently represent a C 6-10 aryl group, a C 6-10 aryloxy group, a C 1-10 alkyl group, a C 1-10 alkoxyl group, a C 3-6 cycloalkyl group, or a C 3-6 cycloalkoxy group), or (c) a combination of N-bromosuccinimide and a dialkyl sulfide.

  一种制备具有高光学纯度的光学活性1-溴-1-[3,5-双(三氟甲基)苯基]乙烷的方法，包括以下步骤：使用磷卤和氢溴酸的组合物、1,2-二溴-1,1,2,2-四氯乙烷和由一般式（I）表示的有机磷化合物（其中，R1、R2和R3独立地表示C6-10芳基、C6-10芳氧基、C1-10烷基、C1-10烷氧基、C3-6环烷基或C3-6环烷氧基），或N-溴代琥珀酰亚胺和二烷基硫化物作为溴化试剂，溴代光学活性1-[3,5-双(三氟甲基)苯基]乙醇。
• PIPERIDINE DERIVATIVES AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1790636A1

  公开（公告）日：2007-05-30

  The present invention provides a compound represented by the formula: wherein Ar is an aryl group optionally having substituents, R is a C1-6 alkyl group, R1 is a hydrogen atom, a hydrocarbon group optionally having substituents, an acyl group or a heterocyclic group optionally having substituents, X is an oxygen atom or an imino group optionally having substituents, ring A is a piperidine ring optionally further having substituents, and ring B is a benzene ring having substituents, or a salt thereof, and an agent for the prophylaxis or treatment of lower urinary tract abnormality and the like, which contains the compound.

  本发明提供了一种由式表示的化合物： 其中 Ar 是任选具有取代基的芳基，R 是 C1-6 烷基，R1 是氢原子、任选具有取代基的烃基、酰基或任选具有取代基的杂环基，X 是氧原子或任选具有取代基的亚氨基，环 A 是任选进一步具有取代基的哌啶环，环 B 是具有取代基的苯环，或其盐，以及含有该化合物的预防或治疗下尿路异常等疾病的制剂。
• Diphosphine ligand and transition metal complex using the same
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2420507A1

  公开（公告）日：2012-02-22

  The present invention provides a novel ligand represented by the following formula and a novel transition metal complex having the ligand, which shows superior enantioselectivity and catalytic efficiency, particularly high catalyst activity, in various asymmetric synthesis reactions. A transition metal complex having, as a ligand, a compound represented by the formula wherein R4 is a hydrogen atom or a C1-6 alkyl group optionally having substituent(s), and R5 and R6 are each a C1-6 alkyl group optionally having substituent(s), or the formula is a group represented by the formula wherein ring B is a 3- to 8-membered ring optionally having substituent (s).

  本发明提供了一种由下式表示的新型配体和一种具有该配体的新型过渡金属配合物，该配合物在各种不对称合成反应中显示出优异的对映选择性和催化效率，尤其是高催化剂活性。 一种过渡金属配合物，其配位体为如下式所代表的化合物 其中 R4 为氢原子或任选具有取代基的 C1-6 烷基，R5 和 R6 各为任选具有取代基的 C1-6 烷基，或式 是由式 其中环 B 是任选具有取代基的 3 至 8 元环。