methyl 5-acetyl-2-chlorobenzylcarbamate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 5-acetyl-2-chlorobenzylcarbamate
• 英文别名: methyl N-(2-chloro-5-acetylbenzyl)carbamate；N-[(5-acetyl-2-chlorophenyl)methyl]methoxycarboxyamide；methyl N-[(5-acetyl-2-chlorophenyl)methyl]carbamate
• 化学式: C₁₁H₁₂ClNO₃
• 分子量: 241.674
• InChiKey: IJSZSFYDVDTMTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-acetyl-2-chlorobenzylcarbamate 在 sodium hydride 、 一水合肼 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 48.0h， 生成 methyl N-[[2-chloro-5-[2-(4-methylphenyl)-4-pyrimidinyl]phenyl]methyl]carbamate
  参考文献：
  名称：

  [EN] SUBSTITUTED BENZENE FUNGICIDES
  [FR] FONGICIDES CONTENANT DU BENZÈNE SUBSTITUÉ

  摘要：

  公开号：

  WO2008124092A8
• 作为产物：
  描述：

  邻氯苯甲胺 在 aluminum (III) chloride 、 硫酸 、 水 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 77.0h， 生成 methyl 5-acetyl-2-chlorobenzylcarbamate
  参考文献：
  名称：

  Pachipala, Suri Babu; Bollikolla, Hari Babu, Indian Journal of Heterocyclic Chemistry, 2022, vol. 32, # 3, p. 339 - 347

  摘要：

  DOI：

文献信息

• [EN] HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES<br/>[FR] FONGICIDES D'AZOLYL BENZÈNE SUBSTITUÉ PAR HÉTÉROBICYCLE
  申请人：DU PONT

  公开号：WO2011059619A1

  公开（公告）日：2011-05-19

  Disclosed are compounds of Formula 1, including all stereoisomers, N oxides, and salts thereof, wherein Y is a 5-membered, fully or partially unsaturated heterocyclic ring containing 2-4 carbon atoms and 2-3 nitrogen atoms as ring members, the ring substituted with Z on a ring member atom connected through an adjacent single ring member atom to the ring member atom attaching the heterocyclic ring to the phenyl ring of Formula 1, and optionally further substituted with up to 2 substituents independently selected from R5 on carbon atom ring members and from R6 on nitrogen atom ring members; Z is an 8-, 9-, 10- or 11-membered fused heterobicyclic ring system containing ring members selected from carbon atoms and 1 to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, wherein up to 3 carbon atom ring members are independently selected from C(=O) and C(=S), and the sulfur atom ring members are independently selected from S(=O)u(=NR7)z, the ring system optionally substituted with substituents independently selected from R8 on carbon atom ring members and from R9 on nitrogen atom ring members; and R1, R2, R3, R4, R5, R6, R7, R8, R9, u and z are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  公开的是Formula 1的化合物，包括所有立体异构体、N-氧化物和盐，其中Y是一个5元的、完全或部分不饱和的杂环环，含有2-4个碳原子和2-3个氮原子作为环成员，该环在通过相邻的单环成员原子连接到将杂环环连接到Formula 1的苯环上的环成员原子上与Z取代，并且可选地进一步取代最多2个取代基，独立地从碳原子环成员上的R5和氮原子环成员上的R6中选择；Z是一个8、9、10或11元的融合杂双环环系统，其中环成员从碳原子和1到4个异原子中独立选择，这些异原子最多选择2个O、最多2个S和最多4个N原子，其中最多3个碳原子环成员独立选择自C(=O)和C(=S)，硫原子环成员独立选择自S(=O)u(=NR7)z，环系统可选地取代取代基，独立地从碳原子环成员上的R8和氮原子环成员上的R9中选择；以及R1、R2、R3、R4、R5、R6、R7、R8、R9、u和z如披露中所定义。还公开了含有Formula 1的化合物的组合物以及用于控制由真菌病原体引起的植物病害的方法，包括施用本发明的化合物或组合物的有效量。
• Carbamate derivative and agricultural/horticultural fungicide
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US06812229B1

  公开（公告）日：2004-11-02

  It is to provide a novel fungicide having high controlling effects on plant diseases particularly on wheat powdery mildew and cucumber gray mold, without ill effects on crops. A carbamate derivative represented by the general formula [I] {wherein X is a halogen atom, a C1-C6 alkyl group or the like, n is 0 or an integer of from 1 to 4, R1 is a C1-C6 alkyl group, R2 is a hydrogen atom, a C1-C6 alkyl group or the like, R3 is a hydrogen atom or a C1-C6 alkyl group, G is an oxygen atom, a sulfur atom or the like, Y is a hydrogen atom, a C1-C10 alkyl group, C2-C10 alkenyl group or the like, and Q is a hydrogen atom, a C1-C6 haloalkyl group, a phenyl group or the like} and an agricultural/horticultural fungicide containing the same as the active ingredient.

  本发明提供一种新型杀菌剂，对植物病害特别是小麦白粉病和黄瓜灰霉病具有高效的控制作用，对农作物没有不良影响。该杀菌剂是一种卡巴酯类衍生物，其通式为[I]，其中X为卤素原子、C1-C6烷基或类似物，n为0或1至4的整数，R1为C1-C6烷基，R2为氢原子、C1-C6烷基或类似物，R3为氢原子或C1-C6烷基，G为氧原子、硫原子或类似物，Y为氢原子、C1-C10烷基、C2-C10烯基或类似物，Q为氢原子、C1-C6卤代烷基、苯基或类似物。本发明还提供了一种含有该杀菌剂作为活性成分的农业/园艺杀菌剂。
• HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES
  申请人：Andreassi II John Lawrence

  公开号：US20120202815A1

  公开（公告）日：2012-08-09

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, wherein Y is a 5-membered, fully or partially unsaturated heterocyclic ring containing 2-4 carbon atoms and 2-3 nitrogen atoms as ring members, the ring substituted with Z on a ring member atom connected through an adjacent single ring member atom to the ring member atom attaching the heterocyclic ring to the phenyl ring of Formula 1, and optionally further substituted with up to 2 substituents independently selected from R 5 on carbon atom ring members and from R 6 on nitrogen atom ring members; Z is an 8-, 9-, 10- or 11-membered fused heterobicyclic ring system containing ring members selected from carbon atoms and 1 to 4 heteroatoms independently selected from up to 2O, up to 2S and up to 4 N atoms, wherein up to 3 carbon atom ring members are independently selected from C(═O) and C(═S), and the sulfur atom ring members are independently selected from S(═O) u (═NR 7 ) z , the ring system optionally substituted with substituents independently selected from R 8 on carbon atom ring members and from R 9 on nitrogen atom ring members; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , u and z are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本文披露了一种公式1的化合物，包括所有立体异构体、N-氧化物和其盐。其中Y是一个五元杂环环，完全或部分不饱和，包含2-4个碳原子和2-3个氮原子作为环成员，环上通过相邻的单个环成员原子连接到连接杂环环和公式1苯环的环成员原子上的Z进行取代。环还可以进一步取代最多2个取代基，独立地从碳原子环成员和氮原子环成员的R5和R6中选择。Z是一个8、9、10或11个成员的融合杂双环系统，其中环成员选择自碳原子和1至4个杂原子，独立地从最多2个O、最多2个S和最多4个N原子中选择，其中最多3个碳原子环成员独立地选择自C（═O）和C（═S），硫原子环成员独立地选择自S（═O）u（═NR7）z，环系统还可以进一步取代独立地从碳原子环成员的R8和氮原子环成员的R9中选择的取代基。R1、R2、R3、R4、R5、R6、R7、R8、R9、u和z如本文所定义。本文还披露了含有公式1化合物的组合物，并且披露了一种通过施用本发明的化合物或组合物的有效量来控制由真菌病原体引起的植物病害的方法。
• Heterobicycle-substituted azolyl benzene fungicides
  申请人：Andreassi, II John Lawrence

  公开号：US08921360B2

  公开（公告）日：2014-12-30

  Disclosed are compounds of Formula 1, including all stereoisomers, N-oxides, and salts thereof, wherein Y is a 5-membered, fully or partially unsaturated heterocyclic ring containing 2-4 carbon atoms and 2-3 nitrogen atoms as ring members, the ring substituted with Z on a ring member atom connected through an adjacent single ring member atom to the ring member atom attaching the heterocyclic ring to the phenyl ring of Formula 1, and optionally further substituted with up to 2 substituents independently selected from R5 on carbon atom ring members and from R6 on nitrogen atom ring members; Z is an 8-, 9-, 10- or 11-membered fused heterobicyclic ring system containing ring members selected from carbon atoms and 1 to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, wherein up to 3 carbon atom ring members are independently selected from C(═O) and C(═S), and the sulfur atom ring members are independently selected from S(═O)u(═NR7)z, the ring system optionally substituted with substituents independently selected from R8 on carbon atom ring members and from R9 on nitrogen atom ring members; and R1, R2, R3, R4, R5, R6, R7, R8, R9, u and z are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本发明涉及一种化合物，其化学式为1，包括所有立体异构体、N-氧化物和其盐，其中Y是一个五元、完全或部分不饱和的杂环环，包含2-4个碳原子和2-3个氮原子作为环成员，该环上通过相邻的单环成员原子连接到连接杂环环与化合物1的苯环的环成员原子上的Z取代，可选地，还可以进一步取代最多2个独立选择的R5和R6基团，其中R5基团取代碳原子环成员，R6基团取代氮原子环成员；Z是一个8、9、10或11元的融合杂双环系统，其中环成员选择自碳原子和1-4个杂原子，这些杂原子独立选择自最多2个氧原子、最多2个硫原子和最多4个氮原子，其中最多3个碳原子环成员独立选择自C(═O)和C(═S)，硫原子环成员独立选择自S(═O)u(═NR7)z，该环系统可选地取代独立选择的R8基团和R9基团；以及R1、R2、R3、R4、R5、R6、R7、R8、R9、u和z如本公开所定义。本发明还涉及包含化合物1的组合物，以及用化合物1或本发明的组合物的有效量控制由真菌病原体引起的植物病害的方法。
• CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1201648B1

  公开（公告）日：2008-04-02