2-(oxetan-3-oxycarbonyl)phenylsulfonyl chloride | 144651-03-6

• 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: 2-(oxetan-3-oxycarbonyl)phenylsulfonyl chloride
• 英文别名: oxetan-3-yl 2-chlorosulfonylbenzoate
• CAS: 144651-03-6
• 化学式: C₁₀H₉ClO₅S
• 分子量: 276.697
• InChiKey: FHPJNLVQYMTDFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氨 、 二氯甲烷 、 2-(oxetan-3-oxycarbonyl)phenylsulfonyl chloride 在 水 、 methylene chloride diethyl ether 、 2-(oxetan-3-oxycarbonyl)phenylsulfonamide 作用下， 以 水 为溶剂， 反应 0.75h， 生成 2-(oxetan-3-oxycarbonyl)phenylsulfonamide
  参考文献：
  名称：

  Sulfonylureas

  摘要：

  磺酰基氨基甲酸酯和磺酰基硫氨酸酯是制备N-苯基磺酰基-N'-嘧啶基（或三嗪基或三唑基）脲（或硫脲）的中间体，所述中间体的化学式为：##STR1## 其中X为氧、硫、SO或SO.sub.2；W为氧或硫，R.sub.2为氢、氟、氯、溴、碘、（X）.sub.n R.sub.3、NO.sub.2、NR.sub.4R.sub.5、-C.tbd.CR.sub.6、##STR2##或氰；n为0或1；R.sub.3为C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷基，其上被1-4个卤原子取代，C.sub.1-C.sub.3烷氧基或C.sub.1-C.sub.3烷基硫醇基；或C.sub.2-C.sub.4烯基或C.sub.2-C.sub.4烯基，其上被1-4个卤原子取代；R.sub.4为氢、CH.sub.3O、CH.sub.3CH.sub.2O或C.sub.1-C.sub.3烷基；R.sub.5为氢或C.sub.1-C.sub.3烷基；R.sub.6为氢、甲基或乙基；R.sub.7为氢或甲基；R.sub.15为苯基或被C.sub.1-C.sub.4烷基或卤原子取代的苯基。最终产物脲和硫脲及其盐具有良好的前除草和后除草选择性除草和生长调节特性。

  公开号：

  US05519148A1
• 作为产物：
  描述：

  oxetan-3-yl 2-isopropylthiobenzoate 在 sodium acetate 、 氯 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 2-(oxetan-3-oxycarbonyl)phenylsulfonyl chloride
  参考文献：
  名称：

  Sulfonylureas

  摘要：

  式I中的N-苯磺酰基N'-三嗪基脲和硫脲：其中X为氧、硫、SO或SO.sub.2；W为氧或硫；R.sub.1为氢或甲基；R.sub.2为氢、氟、氯、溴、碘、(X).sub.n R.sub.3、NO.sub.2、NR.sub.4 R.sub.5、-C.tbd.CR.sub.6、或氰；n为数字0或1；R.sub.3为C.sub.1-C.sub.4烷基或被1-4个卤素原子取代的C.sub.1-C.sub.4烷基、C.sub.1-C.sub.3烷氧基或C.sub.1-C.sub.3烷硫基；或被1-4个卤素原子取代的C.sub.2-C.sub.4烯基或C.sub.2-C.sub.4烯基；R.sub.4为氢、CH.sub.3 O、CH.sub.3 CH.sub.2 O或C.sub.1-C.sub.3烷基；R.sub.5为氢或C.sub.1-C.sub.3烷基；R.sub.6为氢、甲基或乙基；R.sub.7为氢或甲基；Z为##STR3## E为氮；R.sub.8为C.sub.1-C.sub.4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卤代烷基、C.sub.1-C.sub.4卤代烷硫基、C.sub.1-C.sub.4烷硫基、卤素、C.sub.2-C.sub.5烷氧基烷基、C.sub.2-C.sub.5烷氧基烷氧基、氨基、C.sub.1-C.sub.3烷基氨基或二(C.sub.1-C.sub.3烷基)氨基，R.sub.9为C.sub.1-C.sub.4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卤代烷硫基、C.sub.1-C.sub.4烷硫基、C.sub.2-C.sub.5烷氧基烷基、C.sub.2-C.sub.5烷氧基烷氧基、C.sub.2-C.sub.5烷硫基烷基或环丙基，以及这些化合物与胺、碱金属或碱土金属碱或季铵基的盐具有良好的前、后除草和生长调节性能。

  公开号：

  US05209771A1

文献信息

• Phenylsulfonylchloride intermediates useful for the preparation of
  申请人：Ciba-Geigy Corporation

  公开号：US05412107A1

  公开（公告）日：1995-05-02

  N-Phenylsulfonyl-N'-pyrimidinyl-, -N'-triazinyl- and -N'-triazolylureas and -thioureas of formula I ##STR1## in which X is oxygen, sulfur, SO or SO.sub.2 ; W is oxygen or sulfur; R.sub.1 is hydrogen or methyl; R.sub.2 is hydrogen, fluorine, chlorine, bromine, iodine, (X).sub.n R.sub.3, NO.sub.2, NR.sub.4 R.sub.5, --C.tbd.CR.sub.6, ##STR2## or cyano; n is the number 0 or 1; R.sub.3 is C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkyl which is substituted by 1-4 halogen atoms, C.sub.1 -C.sub.3 alkoxy or C.sub.1 -C.sub.3 alkylthio; or C.sub.2 -C.sub.4 alkenyl or C.sub.2 -C.sub.4 alkenyl which is substituted by 1-4 halogen atoms; R.sub.4 is hydrogen, CH.sub.3 O, CH.sub.3 CH.sub.2 O or C.sub.1 -C.sub.3 alkyl; R.sub.5 is hydrogen or C.sub.1 -C.sub.3 alkyl; R.sub.6 is hydrogen, methyl or ethyl; R.sub.7 is hydrogen or methyl; Z is ##STR3## E is methine or nitrogen; R.sub.8 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 haloalkylthio, C.sub.1 -C.sub.4 alkylthio, haloge n, C.sub.2 -C.sub.5 alkoxyalkyl, C.sub.2 -C.sub.5 alkoxyalkoxy, amino, C.sub.1 -C.sub.3 alkylamino or di(C.sub.1 -C.sub.3 alky l)amino; R.sub.9 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.1 -C.sub.4 haloalkylthio, C.sub.1 -C.sub.4 alkylthio, C.sub.2 -C.sub.5 alkoxyalkyl, C.sub.2 -C.sub.5 alkoxyalkoxy, C.sub.2 -C.sub.5 alkylthioalkyl or cyclopropyl; R.sub.10 is hydrogen, fluorine, chlorine, methyl, trifluoromethyl, CH.sub.3 O, CH.sub.3 CH.sub.2 O, CH.sub.3 S, CH.sub.3 SO, CH.sub.3 SO.sub.2 or cyano; R.sub.11 is methyl, ethyl, CH.sub.3 O, CH.sub.3 CH.sub.2 O, fluorine or chlorine; R.sub.12 is methyl, ethyl, CH.sub.3 O, CH.sub.3 CH.sub.2 O, fluorine or chlorine; R.sub.13 is C.sub.1 -C.sub.3 alkyl; and R.sub.14 is C.sub.1 -C.sub.3 alkyl, C.sub.1 -C.sub.3 alkoxy, chlorine or OCHF.sub.2 ; and the salts of these compounds; with the provisos that E is methine if R.sub.8 is halogen; and E is methine if R.sub.8 or R.sub.9 is OCHF.sub.2 or SCHF.sub.2, and the salts of these compounds with amines, alkali metal or alkaline earth metal bases or quaternary ammonium bases have good pre- and postemergence selective herbicidal and growth-regulating properties.

  化学式为I的N-苯磺酰-N'-嘧啶基，N'-三嗪基和-N'-三唑基脲和硫脲，其中X为氧，硫，SO或SO.sub.2; W为氧或硫；R.sub.1为氢或甲基；R.sub.2为氢，氟，氯，溴，碘，(X).sub.n R.sub.3，NO.sub.2，NR.sub.4 R.sub.5，-C.tbd.CR.sub.6，##STR2##或氰基；n为数字0或1；R.sub.3为C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷基，其被1-4卤素原子，C.sub.1-C.sub.3烷氧基或C.sub.1-C.sub.3烷硫基取代；或C.sub.2-C.sub.4烯基或C.sub.2-C.sub.4烯基，其被1-4卤素原子取代；R.sub.4为氢，CH.sub.3 O，CH.sub.3 CH.sub.2 O或C.sub.1-C.sub.3烷基；R.sub.5为氢或C.sub.1-C.sub.3烷基；R.sub.6为氢，甲基或乙基；R.sub.7为氢或甲基；Z为##STR3## E为甲烷或氮；R.sub.8为C.sub.1-C.sub.4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卤代烷基，C.sub.1-C.sub.4卤代烷硫基，C.sub.1-C.sub.4烷硫基，卤素，C.sub.2-C.sub.5烷氧基烷基，C.sub.2-C.sub.5烷氧基烷氧基，氨基，C.sub.1-C.sub.3烷基氨基或二(C.sub.1-C.sub.3烷基)氨基；R.sub.9为C.sub.1-C.sub.4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卤代烷硫基，C.sub.1-C.sub.4烷硫基，C.sub.2-C.sub.5烷氧基烷基，C.sub.2-C.sub.5烷氧基烷氧基，C.sub.2-C.sub.5烷硫基烷基或环丙基；R.sub.10为氢，氟，氯，甲基，三氟甲基，CH.sub.3 O，CH.sub.3 CH.sub.2 O，CH.sub.3 S，CH.sub.3 SO，CH.sub.3 SO.sub.2或氰基；R.sub.11为甲基，乙基，CH.sub.3 O，CH.sub.3 CH.sub.2 O，氟或氯；R.sub.12为甲基，乙基，CH.sub.3 O，CH.sub.3 CH.sub.2 O，氟或氯；R.sub.13为C.sub.1-C.sub.3烷基；R.sub.14为C.sub.1-C.sub.3烷基，C.sub.1-C.sub.3烷氧基，氯或OCHF.sub.2；以及这些化合物的盐；其中E为甲烷如果R.sub.8为卤素；如果R.sub.8或R.sub.9为OCHF.sub.2或SCHF.sub.2，则E为甲烷，这些化合物与胺，碱金属或碱土金属碱基或季铵盐的盐具有良好的前和后除草和生长调节性能。
• US5209771A
  申请人：——

  公开号：US5209771A

  公开（公告）日：1993-05-11
• US5286709A
  申请人：——

  公开号：US5286709A

  公开（公告）日：1994-02-15
• US5310722A
  申请人：——

  公开号：US5310722A

  公开（公告）日：1994-05-10
• US5412107A
  申请人：——

  公开号：US5412107A

  公开（公告）日：1995-05-02