N-Methylen-α,α-dimethylphenethylamin | 85517-78-8

• 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: N-Methylen-α,α-dimethylphenethylamin
• 英文别名: N-benzylisopropylmethaneimine；N-methylene-1,1-dimethyl-2-phenylethylamine；N-(2-methyl-1-phenylpropan-2-yl)methanimine
• CAS: 85517-78-8
• 化学式: C₁₁H₁₅N
• 分子量: 161.247
• InChiKey: CFGIOHJYIQQNNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-苄基甲酰胺 、 N-Methylen-α,α-dimethylphenethylamin 以 乙醇 为溶剂， 以25%的产率得到α,α-Dimethylphenethylamino-N-bis
  参考文献：
  名称：

  关于六氢三嗪，第 4 版。向偶氮甲碱中添加 N-单取代酰胺

  摘要：

  烷基叔胺与甲醛反应生成席夫碱，叔丁胺除外，后者也提供六氢 - s - 三嗪。这些席夫碱或叔烷基胺和甲醛可以进行N-单取代甲酰胺的氨甲基化。

  DOI：

  10.1002/ardp.19833160308
• 作为产物：
  描述：

  聚合甲醛 、 分特拉明 以 水 、 苯 为溶剂， 以90%的产率得到N-Methylen-α,α-dimethylphenethylamin
  参考文献：
  名称：

  关于六氢三嗪，第 4 版。向偶氮甲碱中添加 N-单取代酰胺

  摘要：

  烷基叔胺与甲醛反应生成席夫碱，叔丁胺除外，后者也提供六氢 - s - 三嗪。这些席夫碱或叔烷基胺和甲醛可以进行N-单取代甲酰胺的氨甲基化。

  DOI：

  10.1002/ardp.19833160308

文献信息

• 1,3-oxazin-4-one derivatives, herbicides containing the same, and novel
  申请人：Mitsubishi Petrochemical Co., Ltd.

  公开号：US05436224A1

  公开（公告）日：1995-07-25

  1,3-Oxazin-4-one derivatives represented by general formula (I) ##STR1## wherein R.sup.1 is a lower alkyl group, a lower alkenyl group, an aryl group which may be substituted, or an aralkyl group which may be substituted; R.sup.2 is a hydrogen atom or a lower alkyl group; R.sup.3 is a lower alkyl group, an aryl group which may be substituted, or an aralkyl group which may be substituted; and R.sup.4 and R.sup.5, independently, each is a lower alkyl group, or R.sup.4 and R.sup.5, taken together with the carbon atom to which they are bonded, combine to form a 3- to 8-membered carbocyclic group which may have a branch of a lower alkyl group. These compounds have broad herbicidal spectra and potent herbicidal activities and in addition high safety to useful crops, so that they are useful as herbicides.

  以一般式(I)表示的1,3-Oxazin-4-one衍生物，其中R^1是较低的烷基团、较低的烯基团、可能被取代的芳基团或可能被取代的芳基烷基团；R^2是氢原子或较低的烷基团；R^3是较低的烷基团、可能被取代的芳基团或可能被取代的芳基烷基团；而R^4和R^5分别是较低的烷基团，或者R^4和R^5与它们结合的碳原子一起形成一个3到8成员的碳环族，该环可能有一个较低的烷基团的支链。这些化合物具有广泛的除草谱和强大的除草活性，而且对有用作物具有高安全性，因此它们可用作除草剂。
• 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME
  申请人：MITSUBISHI PETROCHEMICAL CO., LTD.

  公开号：EP0605726A1

  公开（公告）日：1994-07-13

  A 1,3-oxazin-4-one derivative, represented by general formula (I), which is useful as a herbicide because it has a wide herbicidal spectrum and a potent herbicidal activity and is highly safe for useful crops, wherein R¹ represents lower alkyl, lower alkenyl, lower alkynyl, optionally substituted aryl or optionally substituted aralkyl; R² represents hydrogen or lower alkyl; R³ represents lower alkyl, optionally substituted aryl or optionally substituted aralkyl; and R⁴ and R⁵ represent each independently lower alkyl, or R⁴ and R⁵ are combined with each other to represent, together with the carbon atom to which they are bonded, a 3- to 8-membered carbocyclic group which may have a lower alkyl branch.

  一种由通式(I)表示的1,3-噁嗪-4-酮衍生物，可用作除草剂，因为它具有广泛的除草谱和强效除草活性，并且对有用作物高度安全，其中R¹代表低级烷基、低级烯基、低级炔基、任选取代的芳基或任选取代的芳烷基；R²代表氢或低级烷基；R³ 代表低级烷基、任选取代的芳基或任选取代的芳烷基；以及 R⁴ 和 R⁵ 各自独立地代表低级烷基，或 R⁴ 和 R⁵ 相互结合，与它们所键合的碳原子一起代表可具有低级烷基分支的 3-8 元碳环基团。
• COMBINATORIAL PREPARATIONS OF PHOSPHORUS-CONTAINING ACTIVE COMPOUNDS AND INTERMEDIATES BY SOLID PHASE SYNTHESIS
  申请人：——

  公开号：US20030108944A1

  公开（公告）日：2003-06-12

  The invention relates to solid phase processes for the systematic preparation of chemical compounds from the group of the phosphonous or phosphinic acids and/or derivatives thereof and the corresponding substance libraries which can be employed for test purposes, in particular tests for biological activity. The compounds (I) YR 1 P(═O)(OR 3 )R 2 (I) in which Y, R 1 , R 2 , R 3 are as defined in claim 1 are prepared by reacting a resin-linker adduct (II) [resin polymer]-[linker-Z-E 1 -S 1 ] n in the presence of a suitable Pd catalyst with a phosphinate (III) A 1 -O—(PHO)A □ (III) with substitution of the group S 1 to give the compound (IV) [resin polymer]-[linker-Z-E 1 -P(H)(═O)—OA 1 (IV) and cleaving the compound (I) after derivatization reactions on the resin from the resin-linker adduct. The invention also provides the intermediate steps and resin-linked intermediate compounds, and also the substance libraries obtained.

  本发明涉及系统制备膦酸或膦酸和/或其衍生物类化合物以及相应物质库的固相工艺，这些物质库可用于测试目的，特别是生物活性测试。化合物 (I) YR 1 P(═O)(OR 3 )R 2 (I) 其中 Y、R 1 , R 2 , R 3 如权利要求 1 所定义，是通过树脂-连接剂加成物(II)反应制备的 [树脂聚合物]-[连接剂-Z-E 1 -S 1 &rsqb； n 在适当的钯催化剂存在下，与膦酸盐 (III) A 1 -O-(PHO)A &square； (III) 用 S 1 得到化合物 (IV) [树脂聚合物]-[连接剂-Z-E 1 -P(H)(═O)-OA 1 (IV) 在树脂上进行衍生反应后，从树脂-连接剂加合物中裂解出化合物 (I)。 本发明还提供了中间步骤和树脂连接中间化合物，以及所获得的物质库。
• Combinatorial preparation of phosphorus-containing active compounds and intermediates by solid phase synthesis
  申请人：——

  公开号：US20040138495A1

  公开（公告）日：2004-07-15

  The invention relates to solid phase processes for the systematic preparation of chemical compounds from the group of the phosphonous or phosphinic acids and/or derivatives thereof and the corresponding substance libraries which can be employed for test purposes, in particular tests for biological activity. The compounds YR 1 P(═O)(OR 3 )R 2 (I) in which Y, R 1 , R 2 , R 3 are as defined in claim 1 are prepared by reacting a resin-linker adduct (II) [resin polymer]-[linker-Z-E 1 -S 1 ] n in the presence of a suitable Pd catalyst with a phosphinate (III) A 1 -O—(PHO)A □ (III) with substitution of the group S 1 to give the compound (IV) [resin polymer]-[linker-Z-E 1 -P(H)(═O)—OA 1 (IV) and cleaving the compound (I) after derivatization reactions on the resin from the resin-linker adduct. The invention also provides the intermediate steps and resin-linked intermediate compounds, and also the substance libraries obtained.

  本发明涉及从膦酸或膦酸和/或其衍生物组中系统制备化合物的固相工艺以及相应的物质库，这些物质库可用于测试目的，特别是生物活性测试。化合物 YR 1 P(═O)(OR 3 )R 2 (I) 其中 Y、R 1 , R 2 , R 3 如权利要求 1 通过使树脂-连接剂加成物(II)反应制备 [树脂聚合物]-[连接剂-Z-E 1 -S 1 &rsqb； n 在适当的钯催化剂存在下，与膦酸盐 (III) A 1 -O-(PHO)A &square； (III) 用 S 1 得到化合物 (IV) [树脂聚合物]-[连接剂-Z-E 1 -P(H)(═O)-OA 1 (IV) 在树脂上进行衍生反应后，从树脂-连接剂加合物中裂解出化合物 (I)。 本发明还提供了中间步骤和树脂连接中间化合物，以及所获得的物质库。
• MOEHRLE, H.;SCHARF, U.;RUEHMANN, E.;SCHMID, R., ARCH. PHARM., 1983, 316, N 3, 222-229
  作者：MOEHRLE, H.、SCHARF, U.、RUEHMANN, E.、SCHMID, R.

  DOI：——

  日期：——