6-(difluoromethyl)-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine | 951316-16-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 6-(difluoromethyl)-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
• 英文别名: 6-difluoromethyl-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine；6-(difluoromethyl)-2-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
• CAS: 951316-16-8
• 化学式: C₁₅H₁₇F₂N₅
• 分子量: 305.33
• InChiKey: PGQDHTFPCNIBPD-GZMMTYOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-(difluoromethyl)-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine 、 丙酸酐 在 ethyl acetate heptane 作用下， 以to give N-(4-(difluoromethyl)-6-{[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino}-1,3,5-triazin-2-yl)propanamide (0.145 g, yield 43%), mp. 66° C.的产率得到N-(4-(difluoromethyl)-6-{[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-amino}-1,3,5-triazin-2-yl)propanamide
  参考文献：
  名称：

  Diamino-1,3,5-triazines N-substituted with bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators

  摘要：

  本发明涉及一种光学活性化合物（I）或其盐： 其中各个符号如本文所述，或涉及它们的制备过程，其组成物，以及它们作为除草剂或植物生长调节剂的用途。

  公开号：

  US20070238617A1
• 作为产物：
  描述：

  (1R,2S)-1-(bisguanidino)-2,6-dimethylindane monohydrochloride 、 二氟乙酸乙酯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以76%的产率得到6-(difluoromethyl)-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Diamino-1,3,5-triazines N-substituted with bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators

  摘要：

  本发明涉及化学式(I)的光学活性化合物或其盐：其中各种符号如本文所述，或涉及其制备工艺、组成物及其作为除草剂或植物生长调节剂的用途。

  公开号：

  US20070238617A1

文献信息

• SUBSTITUTED DIAMINO-1,3,5-TRIAZINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND CROP GROWTH REGULATORS
  申请人：Minn Klemens

  公开号：US20070293399A1

  公开（公告）日：2007-12-20

  The invention relates to a compound of the formula (I) or a salt thereof in which R 1 is a radical of the formula —N(B 1 -D 1 )(B 2 -D 2 ) or —N(B 3 -D 3 )-N(B 4 -D 4 ) (B 5 -D 5 ), or a group of the formula where B 1 , B 2 , B 3 , B 4 , B 5 , D 1 , D 2 , D 3 , D 4 , D 5 , G 1 , L 1 , U 1 , U 2 , U 3 , and U 4 are each as defined in the specification are suitable as herbicides and crop growth regulators. The compounds (I) can be prepared by processes described in the specification, via intermediates including novel intermediates.

  该发明涉及一种具有式(I)的化合物或其盐，其中R1是式—N(B1-D1)(B2-D2)或—N(B3-D3)-N(B4-D4)(B5-D5)的基团，或是式的一个基团，其中B1、B2、B3、B4、B5、D1、D2、D3、D4、D5、G1、L1、U1、U2、U3和U4如规范中所定义，适用作除草剂和作物生长调节剂。这些化合物(I)可以通过规范中描述的方法制备，通过包括新型中间体在内的中间体。
• Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates
  申请人：Bayer CropScience AG

  公开号：EP2070934A1

  公开（公告）日：2009-06-17

  Compounds of formula (I) or salts thereof, in which R1, R2, R3, R4, R5, R6, X and Y are defined as in claim 1, can be prepared by a process characterized in that a compound of the formula (II) or a salt thereof, is reacted to a compound of the formula (III) or a salt thereof, and an aluminium(III) source, optionally, in the presence of a protic additive or solvent selected from the group consisting of alcohols or amines. The compounds (I) are suitable to be used for the preparation of heterocyclic compounds corresponding to (I) where the group AI(X)(Y) is replaced with an optionally substituted carbon atom, or s-triazine derivatives thereof.

  式 (I) 的化合物或其盐类、 其中 R1、R2、R3、R4、R5、R6、X 和 Y 的定义如权利要求 1 所述、 与式（III）化合物或其盐反应、 和铝(III)源反应，可选择在有选自醇或胺类的原生添加剂或溶剂存在的情况下进行。 化合物(I)适用于制备基团 AI(X)(Y)被任选取代的碳原子取代的与(I)相对应的杂环化合物或其 s-三嗪衍生物。
• DIAMINO-1 ,3,5-TRIAZINES N-SUBSTITUTED WITH BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS
  申请人：Bayer CropScience AG

  公开号：EP2007738A1

  公开（公告）日：2008-12-31
• SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES
  申请人：Bayer CropScience AG

  公开号：EP2231679B1

  公开（公告）日：2011-11-16
• US8759584B2
  申请人：——

  公开号：US8759584B2

  公开（公告）日：2014-06-24