2-(4'-Chlorophenylacetyl)-4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione | 114912-22-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(4'-Chlorophenylacetyl)-4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione
• 英文别名: 6-[2-(4-chlorophenyl)acetyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
• CAS: 114912-22-0
• 化学式: C₁₈H₁₉ClO₄
• 分子量: 334.799
• InChiKey: MDQHERYUZILWIN-UHFFFAOYSA-N

物化性质

• 熔点：
  57-61 °C
• 沸点：
  492.9±40.0 °C(predicted)
• 密度：
  1.210±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氯苯乙酸 、 syncarpic acid 生成 2-(4'-Chlorophenylacetyl)-4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione
  参考文献：
  名称：

  CARTER, CHARLES G.

  摘要：

  DOI：

文献信息

• Certain 2-phenylacetyl-1,3,5-cyclohexanetriones
  申请人：Stauffer Chemical Company

  公开号：US04724263A1

  公开（公告）日：1988-02-09

  Compounds of the formula ##STR1## wherein R is hydrogen; halogen; C.sub.1 -C.sub.2 alkyl; C.sub.1 -C.sub.2 alkoxy; nitro; cyano; C.sub.1 -C.sub.2 haloalkyl; or R.sup.a SO.sub.m --wherein m is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl; R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are methyl or ethyl; R.sup.5 and R.sup.6 independently are (1) hydrogen; (2) halogen; (3) C.sub.1 -C.sub.4 alkyl; (4) C.sub.1 -C.sub.4 alkoxy; (5) trifluoromethoxy; (6) cyano; (7) nitro; (8) C.sub.1 -C.sub.4 haloalkyl; (9) R.sup.b SO.sub.n --wherein n is the integer 0, 1 or 2; and R.sup.b is (a) C.sub.1 -C.sub.4 alkyl; (b) C.sub.1 -C.sub.4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) --NR.sup.c R.sup.d wherein R.sup.c and R.sup.d independently are hydrogen or C.sub.1 -C.sub.4 alkyl; (11) R.sup.e C(O)--wherein R.sup.e is C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy; or (12) --SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; and (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined or R.sup.5 and R.sup.6 together are attached to adjacent carbon atoms and are methylenedioxy or ethylenedioxy and their salts.

  化合物的公式为##STR1##其中R为氢;卤素;C.sub.1-C.sub.2烷基;C.sub.1-C.sub.2烷氧基;硝基;氰基;C.sub.1-C.sub.2卤代烷基;或R.sup.a SO.sub.m -其中m为0或2，R.sup.a为C.sub.1-C.sub.2烷基;R.sup.1，R.sup.2，R.sup.3和R.sup.4为甲基或乙基;R.sup.5和R.sup.6分别独立地为(1)氢; (2)卤素; (3)C.sub.1-C.sub.4烷基; (4)C.sub.1-C.sub.4烷氧基; (5)三氟甲氧基; (6)氰基; (7)硝基; (8)C.sub.1-C.sub.4卤代烷基; (9)R.sup.b SO.sub.n -其中n为整数0,1或2; R.sup.b为(a)C.sub.1-C.sub.4烷基; (b)卤素或氰基取代的C.sub.1-C.sub.4烷基; (c)苯基;或(d)苄基; (10) -NR.sup.c R.sup.d其中R.sup.c和R.sup.d独立地为氢或C.sub.1-C.sub.4烷基; (11) R.sup.e C（O）-其中R.sup.e为C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷氧基;或(12) -SO.sub.2 NR.sup.c R.sup.d其中R.sup.c和R.sup.d如定义;和(13) -N（R.sup.c）C（O）R.sup.d其中R.sup.c和R.sup.d如定义或R.sup.5和R.sup.6一起连接到相邻的碳原子并且是亚甲二氧基或乙二氧基及其盐。
• Method of controlling undesirable vegetation with certain
  申请人：Stauffer Chemical Company

  公开号：US04816059A1

  公开（公告）日：1989-03-28

  Compounds of the formula ##STR1## wherein R is hydrogen; halogen; C.sub.1 -C.sub.2 alkyl; C.sub.1 -C.sub.2 alkoxy; nitro; cyano; C.sub.1 -C.sub.2 haloalkyl; or R.sup.a SO.sub.m -- wherein m is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl; R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are methyl or ethyl; R.sup.5 and R.sup.6 independently are (1) hydrogen; (2) halogen; (3) C.sub.1 -C.sub.4 alkyl; (4) C.sub.1 -C.sub.4 alkoxy; (5) trifluoromethoxy; (6) cyano; (7) nitro; (8) C.sub.1 -C.sub.4 haloalkyl; (9) R.sup.b SO.sub.n -- wherein n is the integer 0, 1 or 2; and R.sup.b is (a) C.sub.1 -C.sub.4 alkyl; (b) C.sub.1 -C.sub.4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) --NR.sup.c R.sup.d wherein R.sup.c and R.sup.d independently are hydrogen or C.sub.1 -C.sub.4 alkyl; (11) R.sup.e C(O)-- wherein R.sup.e is C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy; or (12) --SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are defined; and (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined or R.sup.5 and R.sup.6 together are attached to adjacent carbon atoms and are methylenedioxy or ethylenedioxy and their salts.

  化合物的化学式为 ##STR1## 其中 R 为氢; 卤素; C.sub.1-C.sub.2烷基; C.sub.1-C.sub.2烷氧基; 硝基; 氰基; C.sub.1-C.sub.2卤代烷基; 或 R.sup.a SO.sub.m -，其中m为0或2，R.sup.a为C.sub.1-C.sub.2烷基; R.sup.1，R.sup.2，R.sup.3和R.sup.4为甲基或乙基; R.sup.5和R.sup.6独立地是(1)氢; (2)卤素; (3)C.sub.1-C.sub.4烷基; (4)C.sub.1-C.sub.4烷氧基; (5)三氟甲氧基; (6)氰基; (7)硝基; (8)C.sub.1-C.sub.4卤代烷基; (9)R.sup.b SO.sub.n -，其中n为整数0，1或2; R.sup.b为(a)C.sub.1-C.sub.4烷基; (b)用卤素或氰基取代的C.sub.1-C.sub.4烷基; (c)苯基; 或(d)苄基; (10) -NR.sup.c R.sup.d，其中R.sup.c和R.sup.d独立地是氢或C.sub.1-C.sub.4烷基; (11) R.sup.e C(O)--，其中R.sup.e为C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷氧基; 或(12) --SO.sub.2 NR.sup.c R.sup.d，其中R.sup.c和R.sup.d被定义; 和(13) --N(R.sup.c)C(O)R.sup.d，其中R.sup.c和R.sup.d如定义或R.sup.5和R.sup.6结合到相邻的碳原子上，并且是亚甲二氧基或乙二氧基及其盐。
• CARTER, CHARLES G.
  作者：CARTER, CHARLES G.

  DOI：——

  日期：——
• US4724263A
  申请人：——

  公开号：US4724263A

  公开（公告）日：1988-02-09
• US4780550A
  申请人：——

  公开号：US4780550A

  公开（公告）日：1988-10-25