methyl 2-chloro-4-methanesulfonyl-3-formylbenzoate | 181997-73-9

• 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: methyl 2-chloro-4-methanesulfonyl-3-formylbenzoate
• 英文别名: methyl 2-chloro-3-formyl-4-methylsulfonylbenzoate
• CAS: 181997-73-9
• 化学式: C₁₀H₉ClO₅S
• 分子量: 276.697
• InChiKey: VZAPQVDWIVCLDU-UHFFFAOYSA-N

物化性质

• 沸点：
  486.5±45.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  85.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-chloro-4-methanesulfonyl-3-formylbenzoate 在 碳酸氢钠 作用下， 以 甲醇 、 苯 为溶剂， 生成 methyl 2-chloro-4-methanesulfonyl-3-dimethoxymethyl benzoate
  参考文献：
  名称：

  Benzoylpyrazole derivatives having specific substituents and herbicide

  摘要：

  本发明涉及一种化合物，其化学式为（1）; ##STR1## 其中R.sup.1和R.sup.2各自独立地为卤素原子、C.sub.1-6烷基、C.sub.1-6卤代烷基、C.sub.1-6烷基磺酰基或类似物，R.sup.3为双C.sub.1-6烷氧甲基、双C.sub.1-6烷基硫甲基，R.sup.4和R.sup.5各自独立地为氢、C.sub.1-6烷基、C.sub.2-6烯基或类似物，以及其盐，以及包含所述化合物和/或盐的除草剂。

  公开号：

  US05807806A1
• 作为产物：
  描述：

  methyl 2-chloro-3-bromomethyl-4-methanesulfonylbenzoate 在 N-甲基吗啉氧化物 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 methyl 2-chloro-4-methanesulfonyl-3-formylbenzoate
  参考文献：
  名称：

  Isoxazolyl- and isoxazolinyl-substituted benzoylcyclohexanediones, process for their preparation and their use as herbicides and plant growth regulators

  摘要：

  以异噁唑基和异噁唑啉基取代的苯甲酰环己二酮，其制备方法以及它们作为除草剂和植物生长调节剂的用途。描述了式（I）的苯甲酰环己二酮的制备方法以及它们作为除草剂和植物生长调节剂的用途。 在式（I）中，R1、R2、R3、R4、R5、R6、R7、Ra、Rb和Rc是各种基团，Y和Z是单原子桥元素。

  公开号：

  US06211216B1
• 作为试剂：
  描述：

  methyl 2-chloro-3-bromomethyl-4-methanesulfonylbenzoate 、 N-甲基吗啉氧化物 在 水 、 methyl 2-chloro-4-methanesulfonyl-3-formylbenzoate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 methyl 2-chloro-4-methanesulfonyl-3-formylbenzoate
  参考文献：
  名称：

  Isoxazolyl- and isoxazolinyl-substituted benzoylcyclohexanediones, process for their preparation and their use as herbicides and plant growth regulators

  摘要：

  本文描述了公式（I）的苯甲酰环己烷二酮及其取代的异噁唑基和异噁唑啉基的化合物，以及它们的制备方法和作为除草剂和植物生长调节剂的用途。在公式（I）中，R1，R2，R3，R4，R5，R6，R7，Ra，Rb和Rc是各种基团，Y和Z是单原子桥元素。

  公开号：

  US06211216B1

文献信息

• Substituted 4-benzoylpyrazoles
  申请人：BASF Aktiengesellschaft

  公开号：US06028035A1

  公开（公告）日：2000-02-22

  The invention relates to 4-benzoylpyrazoles of the formula I and their agriculturally useful salts thereof, processes and intermediates; compositions thereof; and use thereof for controlling undesireable plants.

  这项发明涉及公式I的4-苯甲酰吡唑及其在农业上有用的盐，其工艺和中间体；其组合物；以及用于控制不良植物的用途。
• Substituted 2-benzoyl-cyclohexan-1,3-diones with herbicidal effect
  申请人：BASF Aktiengesellschaft

  公开号：US06576596B1

  公开（公告）日：2003-06-10

  The invention relates to 2-benzoylcyclohexane-1,3-diones of the formula I where R1, R2 are each hydrogen, nitro, halogen, cyano, thiocyanato, alkyl, haloalkyl, alkoxyalkyl, alkenyl, alkynyl, —OR5, —OCOR6, —OSO2R6, —SH, —S(O)nR7, —SO2OR5, —SO2NR5R8, —NR8SO2R6 or —NR8COR6; R3 is hydrogen, cyano, alkyl, haloalkyl, —OR7, —SR7 or —NR7R10; R4 is hydrogen, substituted or unsubstituted alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, —COR9, —CO2R9, —COSR9 or —CONR8R9; X is oxygen or NR8; n is 0, 1 or 2; R5 is hydrogen, alkyl, haloalkyl, alkoxyalkyl, alkenyl or alkynyl; R6 is alkyl or haloalkyl; R7 is alkyl, haloalkyl, alkoxyalkyl, alkenyl or alkynyl; R8 is hydrogen or alkyl; R9 is alkyl, alkenyl, alkynyl, phenyl or benzyl; R10 is alkyl, haloalkyl, alkenyl or alkynyl; Q is a cyclohexane-1,3-dione ring with or without substitution attached in position 2; and agriculturally useful salts thereof; to processes and intermediates for preparing the compounds of the formula I; to compositions comprising them; and to the use of these derivatives or compositions comprising them for controlling undesirable plants.

  该发明涉及式I的2-苯甲酰环己烷-1,3-二酮，其中R1、R2分别为氢、硝基、卤素、氰基、硫氰酸基、烷基、卤代烷基、烷氧基烷基、烯基、炔基、—OR5、—OCOR6、—OSO2R6、—SH、—S(O)nR7、—SO2OR5、—SO2NR5R8、—NR8SO2R6或—NR8COR6；R3为氢、氰基、烷基、卤代烷基、—OR7、—SR7或—NR7R10；R4为氢、取代或未取代的烷基、环烷基、烯基、环烯基、炔基、—COR9、—CO2R9、—COSR9或—CONR8R9；X为氧或NR8；n为0、1或2；R5为氢、烷基、卤代烷基、烷氧基烷基、烯基或炔基；R6为烷基或卤代烷基；R7为烷基、卤代烷基、烷氧基烷基、烯基或炔基；R8为氢或烷基；R9为烷基、烯基、炔基、苯基或苄基；R10为烷基、卤代烷基、烯基或炔基；Q是2位连接的带有或不带取代的环己烷-1,3-二酮环；及其在农业上有用的盐；用于制备式I化合物的工艺和中间体；包含它们的组合物；以及用于控制不良植物的这些衍生物或包含它们的组合物的用途。
• Substituted 4-(3-alkenylbenzoyl)pyrazoles
  申请人：BASF Aktiengesellschaft

  公开号：US06143696A1

  公开（公告）日：2000-11-07

  4-(3-Alkenylbenzoyl)pyrazoles of the formula I ##STR1## and agriculturally useful salts thereof; processes for preparing the compounds of the formula I; compositions comprising them; and the use of these derivatives or of compositions comprising them for controlling undesirable plants.

  化学式I的4-(3-烯基苯甲酰)吡唑类化合物及其农业上有用的盐；制备化合物I的方法；包含它们的组合物；以及利用这些衍生物或包含它们的组合物来控制不良植物。
• Substituted 2-(3-alkenyl-benzoyl)-cyclohexane-1,3-diones
  申请人：BASF Aktiengesellschaft

  公开号：US06372693B1

  公开（公告）日：2002-04-16

  The invention relates to 2-(3-alkenylbenzoyl)cyclohexane-1,3-diones of the formula I where the variables have the following meanings: R1, R2 are hydrogen, nitro, halogen, cyano, thiocyanato, alkyl, haloalkyl, alkoxyalkyl, alkenyl, alkynyl, —OR6, —OCOR7, —OSO2R7, —SH, —S(O)nR8, —SO2OR6, —SO2NR6R9, —NR9SO2R7 or —NR9COR7; R3 is hydrogen, halogen, alkyl, haloalkyl, alkoxy, alkenyl, alkynyl; R4, R5 are hydrogen, nitro, halogen, cyano, thiocyanato, alkyl, haloalkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, alkoxy, alkylthio, haloalkoxy, —COR10, —CO2R10, —COSR10, —CONR10R11, —C(R12)═NR13, —PO(OR10)(OR11); unsubstituted or substituted alkyl, heterocyclyl, heterocyclylalkyl, phenyl, phenylalkyl, hetaryl or hetarylalkyl; or R4 and R5 together form an alkanediyl chain which can be substituted and/or can be interrupted by a hetero atom; Q is an unsubstituted or substituted cyclohexane-1,3-dione ring which is linked in the 2-position; and agriculturally useful salts thereof; processes for the preparation of the compounds of the formula I; compositions comprising them; and the use of these derivatives or compositions comprising them for controlling undesired plants.

  本发明涉及具有以下含义的式I的2-(3-烯烃基苯甲酰)环己烷-1,3-二酮，其中变量的含义如下：R1、R2为氢、硝基、卤素、氰基、硫氰酸基、烷基、卤代烷基、烷氧基烷基、烯基、炔基、—OR6、—OCOR7、—OSO2R7、—SH、—S(O)nR8、—SO2OR6、—SO2NR6R9、—NR9SO2R7或—NR9COR7；R3为氢、卤素、烷基、卤代烷基、烷氧基、烯基、炔基；R4、R5为氢、硝基、卤素、氰基、硫氰酸基、烷基、卤代烷基、环烷基、烯基、环烯基、炔基、烷氧基、烷基硫、卤代烷氧基、—COR10、—CO2R10、—COSR10、—CONR10R11、—C(R12)HNH、—PO(OR10)(OR11)；未取代或取代的烷基、杂环烷基、杂环烷基烷基、苯基、苯基烷基、杂芳基或杂芳基烷基；或者R4和R5一起形成一个可以被取代和/或可以被杂原子中断的脂肪二亚基链；Q为连接在2位的未取代或取代的环己烷-1,3-二酮环；以及其农业上有用的盐；制备式I化合物的方法；包含它们的组合物；以及用于控制不受欢迎植物的这些衍生物或包含它们的组合物的用途。
• Herbicidally active phenyldiketone compounds
  申请人：BASF Aktiengesellschaft

  公开号：US05846906A1

  公开（公告）日：1998-12-08

  Herbicidally active phenyldiketone compounds of the formula I ##STR1## in which the substituents have the following meanings: L and M are hydrogen, C.sub.1 -C.sub.6 -alkyl, C.sub.2 -C.sub.6 -alkenyl, C.sub.2 -C.sub.6 -alkynyl, C.sub.1 -C.sub.4 -alkoxy, it being possible for these groups to be unsubstituted or substituted by one to five halogen atoms or C.sub.1 -C.sub.4 -alkoxy, or halogen, cyano, nitro, a group --(Y).sub.n --S(O).sub.m R.sup.7 or a group --(Y).sub.n --CO--R.sup.8, Z is a 5- or 6-membered heterocyclic saturated or unsaturated radical which has one to three hetero atoms selected from the group consisting of oxygen, sulfur or nitrogen and which is unsubstituted or substituted by halogen, cyano, nitro, a group --CO--R.sup.8, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.3 -C.sub.8 -cycloalkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkylthio, di-C.sub.1 -C.sub.4 -alkylamino or which forms a bicyclic system with a substituted or unsubstituted phenyl ring, a fused carbocycle or a fused second heterocycle, Y is O or NR.sup.9, n is zero or one, m is zero, one or two, R.sup.7 is C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl or NR.sup.9 R.sup.10, R.sup.8 is C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -alkoxy or NR.sup.9 R.sup.10, R.sup.9 is hydrogen or C.sub.1 -C.sub.4 -alkyl, R.sup.10 is C.sub.1 -C.sub.4 -alkyl, R.sup.1 is cyclopropyl, 1-methylcyclopropyl, 1-methylthiocyclopropyl or tert-butyl; and agriculturally salts of the compounds I.

  化学草甘膦活性的二酮化合物的结构如下：在这个结构中，取代基的含义如下：L和M是氢、C.sub.1-C.sub.6-烷基、C.sub.2-C.sub.6-烯基、C.sub.2-C.sub.6-炔基、C.sub.1-C.sub.4-烷氧基，这些基团可以是未取代的或被1至5个卤素原子或C.sub.1-C.sub.4-烷氧基、卤素、氰基、硝基、--(Y).sub.n --S(O).sub.m R.sup.7或--(Y).sub.n --CO--R.sup.8基团取代；Z是含有氧、硫或氮等一至三个杂原子的5-或6-成员杂环饱和或不饱和基团，可以是未取代的或被卤素、氰基、硝基、--CO--R.sup.8、C.sub.1-C.sub.4-烷基、C.sub.1-C.sub.4-卤代烷基、C.sub.3-C.sub.8-环烷基、C.sub.1-C.sub.4-烷氧基、C.sub.1-C.sub.4-卤代烷氧基、C.sub.1-C.sub.4-烷硫基、C.sub.1-C.sub.4-卤代烷硫基、二烷基胺基或与取代或未取代的苯环、融合的碳环或融合的第二杂环形成双环系统的基团；Y是氧或NR.sup.9；n为零或一；m为零、一或二；R.sup.7是C.sub.1-C.sub.4-烷基、C.sub.1-C.sub.4-卤代烷基或NR.sup.9R.sup.10；R.sup.8是C.sub.1-C.sub.4-烷基、C.sub.1-C.sub.4-卤代烷基、C.sub.1-C.sub.4-烷氧基或NR.sup.9R.sup.10；R.sup.9是氢或C.sub.1-C.sub.4-烷基；R.sup.10是C.sub.1-C.sub.4-烷基；R.sup.1是环丙基、1-甲基环丙基、1-甲硫基环丙基或叔丁基；以及化合物I的农业盐。