2-(2-氨基-5-甲基-苯基)-1,1,1,3,3,3-六氟-2-丙醇 | 1992-07-0

• 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: 2-(2-氨基-5-甲基-苯基)-1,1,1,3,3,3-六氟-2-丙醇
• 英文名称: 4-methyl-2-<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>aniline
• 英文别名: 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol；2-(2-Amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol；4-Methyl-2--anilin；4-Methyl-2-(hexafluor-2-hydroxy-2-propyl)-anilin；2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
• CAS: 1992-07-0
• 化学式: C₁₀H₉F₆NO
• 分子量: 273.178
• InChiKey: HNKHGSNMOSFCRL-UHFFFAOYSA-N

物化性质

• 熔点：
  111-112 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  299.0±40.0 °C(Predicted)
• 密度：
  1.449±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 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：
  46.2
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  2-(2-氨基-5-甲基-苯基)-1,1,1,3,3,3-六氟-2-丙醇 在 溴 作用下， 以 四氯化碳 为溶剂， 生成 6-bromo-4-methyl-2-<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>aniline
  参考文献：
  名称：

  A dialkoxyarylbrominane. The first example of an organic 10-Br-3 species

  摘要：

  DOI：

  10.1021/ja00544a047
• 作为产物：
  描述：

  乙烷,三氯氟- 、 六氟丙酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以68%的产率得到2-(2-氨基-5-甲基-苯基)-1,1,1,3,3,3-六氟-2-丙醇
  参考文献：
  名称：

  19 F CEST成像探针，用于金属离子检测

  摘要：

  为了用19 F化学交换饱和转移磁共振成像（19 F CEST MRI）检测金属离子，方便地以克为单位合成了一类具有不同氟含量和螯合特性的新型氟化螯合剂。其中，具有高灵敏度和选择性的DTPA衍生螯合剂被鉴定为同时检测多种金属离子的新型19 F CEST成像探针。

  DOI：

  10.1039/c7ob01068k

文献信息

• Ruthenium-Alkylidene Complexes with Sterically Rigid Fluorinated NHC Ligands
  作者：Salekh M. Masoud、Timur R. Akmalov、Konstantin A. Palagin、Fedor M. Dolgushin、Sergey E. Nefedov、Sergey N. Osipov

  DOI：10.1002/ejoc.201801116

  日期：2018.11.25

  Novel ruthenium‐alkylidene complexes with sterically rigid fluorinated NHC ligands were synthesized and evaluated in representative olefin metathesis reactions. Along with excellent robustness, they demonstrate remarkable activity in self‐metathesis of allylbenzene, outperforming commercially available Grubbs‐Hoveyda catalyst in terms of yield and regioselectivity.

  合成了具有空间刚性氟化NHC配体的新型钌-亚烷基络合物，并在代表性的烯烃复分解反应中进行了评估。它们具有出色的耐用性，在烯丙基苯的自我复分解中显示出显着的活性，在收率和区域选择性方面均优于市售的Grubbs-Hoveyda催化剂。
• [EN] HYPERVALENT RADIOACTIVE ASTATINE OR IODINE COMPOUNDS, AND PREPARATION METHODS THEREOF<br/>[FR] COMPOSÉS HYPERVALENTS D'ASTATINE OU D'IODE RADIOACTIF, ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：INST NAT SANTE RECH MED

  公开号：WO2011095517A1

  公开（公告）日：2011-08-11

  The present invention relates to a compound having formula (I): wherein: - X is in particular 125I Or 211At; - R1 and R'1 are independently from each other chosen preferably from the group consisting of electron-withdrawing groups and alkyl groups; - R2 is chosen from the group consisting of : H, alkyl groups, functional groups being able to bind a vector, and functional groups having targeting properties which make the compound of the invention a vector itself; - Z is a heteroatom, - R5, R8 and R9 are preferably H; - Y is preferably an electron withdrawing group.

  本发明涉及具有以下式（I）的化合物：其中：- X特别是125I或211At；- R1和R'1分别独立地选择自取电子吸引基团和烷基基团的群体中；- R2选择自以下群体：H，烷基基团，能够结合载体的功能基团，以及具有使本发明化合物本身成为载体的靶向性能的功能基团；- Z是杂原子；- R5、R8和R9优选为H；- Y优选为取电子吸引基团。
• Synthesis of metathesis catalysts with fluorinated unsymmetrical N,N’-diaryl imidazoline-based NHC ligands
  作者：Salekh M. Masoud、Maxim A. Topchiy、Alexander S. Peregudov、Thierry Roisnel、Pierre H. Dixneuf、Christian Bruneau、Sergey N. Osipov

  DOI：10.1016/j.jfluchem.2017.06.004

  日期：2017.8

  New olefin metathesis catalysts bearing unsymmetrical fluorinated NHC ligands with hexafluoroisopropylmethoxy group in ortho-positions of N-aryl-substituent have been synthesized. The effects of mono-ortho-arylsubstitution and the replacement of para-methyl N-aryl group with more electron-donating methoxy group in unsymmetrical fluorinated NHC ligand on the activity of complexes have been evaluated

  合成了在N-芳基取代基的邻位带有六氟异丙基甲氧基的不对称氟化NHC配体的新型烯烃复分解催化剂。已评估了不对称氟化NHC配体中单-邻-芳基取代和对位甲基N-芳基被更多的供电子甲氧基取代对配合物活性的影响。
• HYPERVALENT RADIOACTIVE ASTATINE OR IODINE COMPOUNDS, AND PREPARATION METHODS THEREOF
  申请人：Gestin Jean-Francois

  公开号：US20130004420A1

  公开（公告）日：2013-01-03

  The present invention relates to a compound having formula (I): wherein: X is in particular 125 I Or 211 At; R 1 and R′ 1 are independently from each other chosen preferably from the group consisting of electron-withdrawing groups and alkyl groups; R 2 is chosen from the group consisting of: H, alkyl groups, functional groups being able to bind a vector, and functional groups having targeting properties which make the compound of the invention a vector itself; Z is a heteroatom, R 5 , R 8 and R 9 are preferably H; Y is preferably an electron withdrawing group.

  本发明涉及一种具有公式（I）的化合物：其中：X特别是125I或211At；R1和R′1独立选择自电子吸引基团和烷基基团的群组，R2选择自H，烷基基团，能够结合载体的功能基团和具有使本发明化合物本身成为载体的靶向性质的功能基团；Z是杂原子，R5，R8和R9优选是H；Y优选是电子吸引基团。
• Hypervalent radioactive astatine or iodine compounds, and preparation methods thereof
  申请人：Gestin Jean-Francois

  公开号：US09290421B2

  公开（公告）日：2016-03-22

  The present invention relates to a compound having formula (I): wherein: —X is in particular 125I Or 211At; —R1 and R′1 are independently from each other chosen preferably from the group consisting of electron-withdrawing groups and alkyl groups; —R2 is chosen from the group consisting of: H, alkyl groups, functional groups being able to bind a vector, and functional groups having targeting properties which make the compound of the invention a vector itself; —Z is a heteroatom, R5, R8 and R9 are preferably H; —Y is preferably an electron withdrawing group.

  本发明涉及一种具有式（I）的化合物：其中：-X特别是125I或211At；-R1和R′1分别独立地选择自电子吸引基团和烷基基团的群组，-R2选择自H，烷基基团，能够结合载体的功能基团以及具有靶向性质使本发明的化合物本身成为载体的靶向性质的功能基团；-Z是杂原子，R5，R8和R9优选为H；-Y优选为电子吸引基团。