3,3-Bis-(methylthio)-2-cyanacrylsaeure-propargylester | 58092-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: 3,3-Bis-(methylthio)-2-cyanacrylsaeure-propargylester
• 英文别名: 3,3-bis(methylthio)-2-cyanoacrylic acid propargyl ester；prop-2-ynyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
• CAS: 58092-58-3
• 化学式: C₉H₉NO₂S₂
• 分子量: 227.308
• InChiKey: BHJOFVXVPQRENG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,3-Bis-(methylthio)-2-cyanacrylsaeure-propargylester 以 2-丙炔-1-醇 为溶剂， 生成 2-benzoxazolinylidene-cyanoacetic acid propargyl ester
  参考文献：
  名称：

  Plant growth influencers

  摘要：

  由公式##STR1##所代表的化合物，其中R.sub.1和R.sub.2分别是氢或苯基；R.sub.3是氰基；R.sub.5 OCO-中的R.sub.5是具有1-8个碳原子的低碳烷基，具有3-6个碳原子的环烷基，具有2-8个碳原子的烯烃基，具有2-8个碳原子的炔烃基或苯基；R.sub.6 SO.sub.2-中的R.sub.6是具有1-8个碳原子的低碳烷基，具有3-6个碳原子的环烷基或苯基；(R.sub.7)(R.sub.8)NCO-中的R.sub.7和R.sub.8分别是氢或具有1-4个碳原子的低碳烷基，具有3-6个碳原子的环烷基，具有2-4个碳原子的烯烃基或苯基，或者R.sub.7和R.sub.8与它们连接的氮原子一起形成一个3-7的环，该环可能含有另一个杂原子；或者R.sub.9 CO-中的R.sub.9是具有1-4个碳原子的低碳烷基，具有3-6个碳原子的环烷基或苯基；R.sub.4是氢或具有1-4个碳原子的低碳烷基，以及这些化合物的盐，具有影响植物生长的活性，公开了制备这种化合物的方法，使用这种化合物的组合物以及使用这种化合物影响植物生长的方法。

  公开号：

  US04028089A1
• 作为产物：
  描述：

  二硫化碳 、 prop-2-ynyl 2-cyanoacetate 、 硫酸二甲酯 在 sodium hydride 作用下， 以 乙腈 为溶剂， 反应 11.0h， 以73%的产率得到3,3-Bis-(methylthio)-2-cyanacrylsaeure-propargylester
  参考文献：
  名称：

  SYNTHESIS OF NOVEL DERIVATIVES OF 2-CYANO-3-METHYLTHIO-3′-BENZYLAMINO ACRYLATES(ACRYLAMIDES) AND THEIR BIOLOGICAL ACTIVITY

  摘要：

  A series of new substituted derivatives of 2-cyano-3-methvlthio-3'-aminoacrylates(acrylamides) have been designed and synthesized. Their structures were confirmed by H-1 NMR and elemental analysis. The bioassay test indicates that most of these new compounds show good Hill reaction inhibitory activity.

  DOI：

  10.1080/10426509908037014

文献信息

• Cyano containing benzoxazolinylidines and use thereof
  申请人：Hoffmann-La Roche Inc.

  公开号：US04098598A1

  公开（公告）日：1978-07-04

  Compounds represented by the formula ##STR1## wherein R.sub.1 and R.sub.2 each are hydrogen or a phenyl; R.sub.3 is cyano; R.sub.5 OCO- in which R.sub.5 is a lower alkyl having 1-8 carbons, cycloalkyl having 3-6 carbons, alkenyl having 2-8 carbons, alkynyl having 2-8 carbons or phenyl; R.sub.6 SO.sub.2 - in which R.sub.6 is a lower alkyl having 1-8 carbons, cycloalkyl having 3 to 6 carbons or phenyl; (R.sub.7)(R.sub.8)NCO-- in which R.sub.7 and R.sub.8 each are hydrogen or a lower alkyl having 1-4 carbons, cycloalkyl having 3-6 carbons, alkenyl having 2-4 carbons or phenyl, or R.sub.7 and R.sub.8 together with the nitrogen atom to which they are attached are a 3-7 membered ring which may contain a further hetero atom; or R.sub.9 CO-- in which R.sub.9 is a lower alkyl having 1-4 carbons, cycloalkyl having 3 to 6 carbons or phenyl; and R.sub.4 is hydrogen or a lower alkyl having 1-4 carbons, And salts thereof, having activity which influences plant growth, processes for making such compounds, compositions for using the compounds and methods of using the compounds to influence plant growth are disclosed.

  本发明揭示了由以下式子表示的化合物：##STR1##其中R.sub.1和R.sub.2分别是氢或苯基；R.sub.3是氰基；R.sub.5 OCO-其中R.sub.5是具有1-8个碳的低级烷基，具有3-6个碳的环烷基，具有2-8个碳的烯基，具有2-8个碳的炔基或苯基；R.sub.6 SO.sub.2-其中R.sub.6是具有1-8个碳的低级烷基，具有3到6个碳的环烷基或苯基；(R.sub.7)(R.sub.8)NCO-其中R.sub.7和R.sub.8分别是氢或具有1-4个碳的低级烷基，具有3-6个碳的环烷基，具有2-4个碳的烯基或苯基，或R.sub.7和R.sub.8与它们连接的氮原子一起是一个3-7个成员的环，该环可能含有进一步的杂原子；或R.sub.9 CO-其中R.sub.9是具有1-4个碳的低级烷基，具有3到6个碳的环烷基或苯基；以及R.sub.4是氢或具有1-4个碳的低级烷基，以及这些化合物的盐，具有影响植物生长的活性，揭示了制备这些化合物的方法，使用这些化合物的组合物和使用这些化合物影响植物生长的方法。
• US4028089A
  申请人：——

  公开号：US4028089A

  公开（公告）日：1977-06-07
• US4098598A
  申请人：——

  公开号：US4098598A

  公开（公告）日：1978-07-04
• Plant growth influencers
  申请人：Hoffmann-La Roche Inc.

  公开号：US04028089A1

  公开（公告）日：1977-06-07

  Compounds represented by the formula ##STR1## wherein R.sub.1 and R.sub.2 each are hydrogen or a phenyl; R.sub.3 is cyano; R.sub.5 OCO- in which R.sub.5 is a lower alkyl having 1-8 carbons, cycloalkyl having 3-6 carbons, alkenyl having 2-8 carbons, alkynyl having 2-8 carbons or phenyl; R.sub.6 SO.sub.2 - in which R.sub.6 is a lower alkyl having 1-8 carbons, cycloalkyl having 3 to 6 carbons or phenyl; (R.sub.7)(R.sub.8)NCO- in which R.sub.7 and R.sub.8 each are hydrogen or a lower alkyl having 1-4 carbons, cycloalkyl having 3-6 carbons, alkenyl having 2-4 carbons or phenyl, or R.sub.7 and R.sub.8 together with the nitrogen atom to which they are attached are a 3-7 membered ring which may contain a further hetero atom; or R.sub.9 CO- in which R.sub.9 is a lower alkyl having 1-4 carbons, cycloalkyl having 3 to 6 carbons or phenyl; and R.sub.4 is hydrogen or a lower alkyl having 1-4 carbons, And salts thereof, having activity which influences plant growth, processes for making such compounds, compositions for using the compounds and methods of using the compounds to influence plant growth are disclosed.

  由公式##STR1##所代表的化合物，其中R.sub.1和R.sub.2分别是氢或苯基；R.sub.3是氰基；R.sub.5 OCO-中的R.sub.5是具有1-8个碳原子的低碳烷基，具有3-6个碳原子的环烷基，具有2-8个碳原子的烯烃基，具有2-8个碳原子的炔烃基或苯基；R.sub.6 SO.sub.2-中的R.sub.6是具有1-8个碳原子的低碳烷基，具有3-6个碳原子的环烷基或苯基；(R.sub.7)(R.sub.8)NCO-中的R.sub.7和R.sub.8分别是氢或具有1-4个碳原子的低碳烷基，具有3-6个碳原子的环烷基，具有2-4个碳原子的烯烃基或苯基，或者R.sub.7和R.sub.8与它们连接的氮原子一起形成一个3-7的环，该环可能含有另一个杂原子；或者R.sub.9 CO-中的R.sub.9是具有1-4个碳原子的低碳烷基，具有3-6个碳原子的环烷基或苯基；R.sub.4是氢或具有1-4个碳原子的低碳烷基，以及这些化合物的盐，具有影响植物生长的活性，公开了制备这种化合物的方法，使用这种化合物的组合物以及使用这种化合物影响植物生长的方法。
• SYNTHESIS OF NOVEL DERIVATIVES OF 2-CYANO-3-METHYLTHIO-3′-BENZYLAMINO ACRYLATES(ACRYLAMIDES) AND THEIR BIOLOGICAL ACTIVITY
  作者：Huayin Liu、Yinlin Sha、Guangxiu Dai、Huifen Tan、Huazheng Yang、Luhua Lai

  DOI：10.1080/10426509908037014

  日期：1999.5.1

  A series of new substituted derivatives of 2-cyano-3-methvlthio-3'-aminoacrylates(acrylamides) have been designed and synthesized. Their structures were confirmed by H-1 NMR and elemental analysis. The bioassay test indicates that most of these new compounds show good Hill reaction inhibitory activity.