2-chloro-1-nitro-4-phenylmethoxybenzene | 50545-45-4

• 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-chloro-1-nitro-4-phenylmethoxybenzene
• 英文别名: 3-Chloro-4-nitrophenyl benzyl ether；2-Chlor-4-benzyloxy-nitrobenzol；benzyl 3-chloro-4-nitrophenyl ether；4-(Benzyloxy)-2-chloro-1-nitrobenzene
• CAS: 50545-45-4
• 化学式: C₁₃H₁₀ClNO₃
• 分子量: 263.68
• InChiKey: OZWBCJNFUZTJGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-1-nitro-4-phenylmethoxybenzene 在 盐酸 、 锌 作用下， 以 乙醇 为溶剂， 反应 17.0h， 生成 1-(2-ethoxyethyl)-1,3-dihydro-6-phenylmethoxy-2H-benzimidazol-2-one
  参考文献：
  名称：

  1-（2-乙氧基乙基）-2-（六氢-4-甲基-1H-1,4-二氮杂-1-基）-1H富马酸苯并咪唑（KG-2413）和相关化合物的代谢物。

  摘要：

  1-（2-乙氧基乙基）-2-（六氢-4-甲基-1H-1,4-二氮杂-1-基）-1H-b富马酸二苯并咪唑（KG-2413）的代谢物在相关化合物的代谢研究的基础上预测了抗组胺活性，并合成了抗组胺活性以帮助鉴定实际的代谢产物并检查其抗组胺活性。在制备的十二种化合物中，实际上发现有九种化合物是大鼠尿液中KG-2413的代谢产物。发现这些代谢物的抗组胺活性低于KG-2413。

  DOI：

  10.1248/cpb.37.962
• 作为产物：
  描述：

  苯甲醛腙 在 mercury(II) oxide 作用下， 以 乙醚 、 正戊烷 为溶剂， 反应 1.0h， 生成 2-chloro-1-nitro-4-phenylmethoxybenzene
  参考文献：
  名称：

  Varenikova, S. F.; Nekhoroshev, A. A.; Sevbo, D. P., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, p. 581 - 584

  摘要：

  DOI：

文献信息

• Aryloxy benzotriazole herbicidal agents and methods for the preparation
  申请人：American Cyanamid Company

  公开号：US05324711A1

  公开（公告）日：1994-06-28

  This invention is directed to certain substituted aryloxy benzotriazole compounds which are herbicidal agents. The structures of these compounds are represented by formulas I and II shown below: ##STR1## wherein M is C--X, N or N.sup.+ --O.sup.- ; W, X, Y and Z each independently represent hydrogen, halogen, nitro, cyano, C.sub.1 -C.sub.4 haloalkyl or C.sub.1 -C.sub.4 haloalkoxy; n is 0, 1 or 2; R is hydrogen, C.sub.1 -C.sub.4 alkyl, aryl or when taken together with R.sub.1, R and R.sub.1 may form a ring in which RR.sub.1 are represented by the structure --(CH.sub.2).sub.m -- where m is an integer of 2, 3, 4 or 5; R.sub.1 and R.sub.2 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl or when taken together R.sub.1 and R.sub.2 may form a ring in which R.sub.1 R.sub.2 are represented by the structure --(CH.sub.2).sub.m -- where m is an integer of 2, 3, 4 or 5; R.sub.3 is cyano, ##STR2## CH.sub.2 OR.sub.8 or CH(OR.sub.9).sub.2 ; Q is OH, OR.sub.4 or NR.sub.5 R.sub.6 ; A is O, NOR.sub.5, NCOR.sub.5, NNR.sub.5 R.sub.6 or NNHCONH.sub.2 ; R.sub.7 is hydrogen, C.sub.1 -C.sub.4 alkyl or aryl; R.sub.8 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sub.9 is C.sub.1 -C.sub.4 alkyl; R.sub.4 is C.sub.1 -C.sub.6 alkyl optionally interrupted by O or S or optionally substituted with C.sub.1 -C.sub.4 alkoxy, halogen, hydroxy, C.sub.3 --C.sub.6 cycloalkyl, furyl, or optionally substituted phenyl; C.sub.3 -C.sub.6 alkenyl optionally substituted with one or two C.sub.1 -C.sub.3 alkoxy, halogen, substituted phenyl or C.sub.3 -C.sub.6 cycloalkyl; C.sub.3 -C.sub.6 alkynyl optionally substituted with C.sub.1 -C.sub.4 alkoxy or halogen; C.sub.3 -C.sub.6 cycloalkyl; ammonium; C.sub.1 -C.sub.6 dialkylammonium; C.sub.1 -C.sub.6 trialkylammonium; a metal cation; or a moiety of formula ##STR3## R.sub.5 and R.sub.6 each independently represent hydrogen, C.sub.1 -C.sub.6 alkyl, phenyl or halophenyl; the benzotriazole N-oxide or N-methosulfate; and when R.sub.1 or R.sub.2 is C.sub.1 -C.sub.4 alkyl, the optical isomer thereof; with the proviso that when M is C--X in formula I, wherein X is hydrogen, halogen, nitro, cyano or C.sub.1 -C.sub.4 haloalkyl, the benzotriazole is substituted in the 6 position by aryloxy, n is O, R.sub.3 is ##STR4## and R.sub.7 is C.sub.1 -C.sub.4 alkyl, then R and R.sub.1 cannot be hydrogen or C.sub.1 -C.sub.4 alkyl. The invention is further directed to methods for the preparation of the aryloxy benzotriazole compounds.

  这项发明涉及某些取代芳氧基苯并三唑化合物，这些化合物是除草剂。这些化合物的结构由下面显示的公式I和II表示：其中M为C--X、N或N.sup.+ --O.sup.-；W、X、Y和Z分别独立表示氢、卤素、硝基、氰基、C.sub.1 -C.sub.4卤代烷基或C.sub.1 -C.sub.4卤代氧基；n为0、1或2；R为氢、C.sub.1 -C.sub.4烷基、芳基，或当与R.sub.1一起时，R和R.sub.1可以形成一个环，其中RR.sub.1由结构--(CH.sub.2).sub.m--表示，其中m为2、3、4或5的整数；R.sub.1和R.sub.2各自独立表示氢、C.sub.1 -C.sub.4烷基，或当R.sub.1和R.sub.2一起时，R.sub.1和R.sub.2可以形成一个环，其中R.sub.1R.sub.2由结构--(CH.sub.2).sub.m--表示，其中m为2、3、4或5的整数；R.sub.3为氰基，CH.sub.2OR.sub.8或CH(OR.sub.9).sub.2；Q为OH、OR.sub.4或NR.sub.5R.sub.6；A为O、NOR.sub.5、NCOR.sub.5、NNR.sub.5R.sub.6或NNHCONH.sub.2；R.sub.7为氢、C.sub.1 -C.sub.4烷基或芳基；R.sub.8为氢或C.sub.1 -C.sub.4烷基；R.sub.9为C.sub.1 -C.sub.4烷基；R.sub.4为C.sub.1 -C.sub.6烷基，可选地被O或S打断，或可选地被C.sub.1 -C.sub.4烷氧基、卤素、羟基、C.sub.3 -C.sub.6环烷基、呋喃基或可选地取代的苯基所取代；C.sub.3 -C.sub.6烯烃，可选地被一个或两个C.sub.1 -C.sub.3烷氧基、卤素、取代苯基或C.sub.3 -C.sub.6环烷基取代；C.sub.3 -C.sub.6炔烃，可选地被C.sub.1 -C.sub.4烷氧基或卤素取代；C.sub.3 -C.sub.6环烷基；铵；C.sub.1 -C.sub.6二烷基铵；C.sub.1 -C.sub.6三烷基铵；金属阳离子；或公式的一个部分##STR3## R.sub.5和R.sub.6各自独立表示氢、C.sub.1 -C.sub.6烷基、苯基或卤苯基；苯并三唑N-氧化物或N-甲基磺酸盐；当R.sub.1或R.sub.2为C.sub.1 -C.sub.4烷基时，其光学异构体；但是，当公式I中M为C--X时，其中X为氢、卤素、硝基、氰基或C.sub.1 -C.sub.4卤代烷基时，苯并三唑在6位被芳氧基取代，n为O，R.sub.3为##STR4##，且R.sub.7为C.sub.1 -C.sub.4烷基时，R和R.sub.1不能为氢或C.sub.1 -C.sub.4烷基。该发明还涉及制备芳氧基苯并三唑化合物的方法。
• Methods for the preparation of Benzotriazole herbicidal agents
  申请人：American Cyanamid Company

  公开号：US05686617A1

  公开（公告）日：1997-11-11

  This invention is directed to certain substituted aryloxy benzotriazole compounds which are herbicidal agents. The invention is further directed to methods for the preparation of the aryloxy benzotriazole compounds.

  本发明涉及某些取代的芳氧基苯并三唑化合物，其为除草剂。该发明进一步涉及制备芳氧基苯并三唑化合物的方法。
• Methods for the preparation of benzyloxy benzotriazole herbicidal agents
  申请人：American Cyanamid Company

  公开号：US05763615A1

  公开（公告）日：1998-06-09

  This invention is directed to certain substituted aryloxy benzotriazole compounds which are herbicidal agents. The invention is further directed to methods for the preparation of the aryloxy benzotriazole compounds.

  本发明涉及某些取代的芳氧基苯并三唑化合物，它们是除草剂。该发明进一步涉及制备芳氧基苯并三唑化合物的方法。
• Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0367242A2

  公开（公告）日：1990-05-09

  This invention is directed to certain substituted aryloxy benzotriazole compounds which are herbicidal agents. The invention is further directed to methods for the preparation of the aryloxy benzotriazole compounds.

  本发明涉及某些取代的芳氧基苯并三唑化合物，它们是除草剂。本发明还涉及芳氧基苯并三唑化合物的制备方法。
• Lee,F.G.H. et al., Journal of Heterocyclic Chemistry, 1973, vol. 10, p. 649 - 654
  作者：Lee,F.G.H. et al.

  DOI：——

  日期：——