N-Chloracetyl-N-(2,6-dimethylphenyl)-3-aminobutan-2-on | 69717-52-8

• 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: N-Chloracetyl-N-(2,6-dimethylphenyl)-3-aminobutan-2-on
• 英文别名: 2-chloro-N-(2,6-dimethyl-phenyl)-N-(1-methyl-2-oxo-propyl)-acetamide；3-(N-chloroacetyl-2,6-dimethylphenylamino)-2-butanone；2-chloro-N-(2,6-dimethylphenyl)-N-(3-oxobutan-2-yl)acetamide
• CAS: 69717-52-8
• 化学式: C₁₄H₁₈ClNO₂
• 分子量: 267.755
• InChiKey: BZNFXXMVCPFTPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-Chloracetyl-N-(2,6-dimethylphenyl)-3-aminobutan-2-on 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 4-<2,6-Dimethyl-phenyl>-5,6-dimethyl-4H-1,4-oxazin-3(2H)-on
  参考文献：
  名称：

  通过烯醇盐离子的双选择环封闭形成4、5和6元杂环

  摘要：

  通过烯醇酸根阴离子的双选择性环化形成4、5和6元杂环

  DOI：

  10.1002/hlca.19790620326
• 作为产物：
  描述：

  3-((2,6-dimethylphenyl)amino)butan-2-one 、 氯乙酰氯 以70%的产率得到
  参考文献：
  名称：

  KUNZ W.; KRISTINSSON H., HELV. CHIM. ACTA, 1979, 62, NO 3, 872-881

  摘要：

  DOI：

文献信息

• Herbicidal and plant-growth regulating N-haloacetylphenylamino carbonyl
  申请人：Chevron Research Company

  公开号：US04174210A1

  公开（公告）日：1979-11-13

  Novel N-haloacetylphenylamino carbonyl oximes represented by the formula ##STR1## wherein Ar is aryl, R.sup.1 is halomethyl, R.sup.2 is hydrogen, alkyl or aryl, R.sup.3 is hydrogen, alkyl or aryl, n is 0 or 1 and R is hydrogen, aryl, alkyl, alkenyl or alkynyl, with the proviso that R.sup.2 and R.sup.3 may be joined together to form a carbocyclic ring of 5 to 6 carbon atoms or a heterocyclic ring of one N, O or S hetero atom and 4 to 5 carbon atoms. The oxime compounds are useful as herbicides and plant growth regulators.

  该专利描述了一种新型N-卤代乙酰苯胺羰基肟，其化学式为##STR1## 其中Ar为芳基，R.sup.1为卤代甲基，R.sup.2为氢、烷基或芳基，R.sup.3为氢、烷基或芳基，n为0或1，R为氢、芳基、烷基、烯基或炔基，但R.sup.2和R.sup.3可以结合形成5至6个碳原子的环状碳氢化合物或1个N、O或S杂原子和4至5个碳原子的杂环。这些肟化合物可用作除草剂和植物生长调节剂。
• Herbicidal and plant-growth-regulating N-haloacetylphenylamino carbonyl
  申请人：Chevron Research Company

  公开号：US04260410A1

  公开（公告）日：1981-04-07

  Novel N-haloacetylphenylamino carbonyl oximes represented by the formula ##STR1## wherein Ar is phenyl or substituted phenyl; R.sup.1 is halomethyl; R.sup.2 and R.sup.3 are each independently hydrogen, alkyl, phenyl, benzyl, substituted phenyl or benzyl, haloalkyl, cyanoalkyl, alkoxyalkyl, alkylthioalkyl or thiocyanoalkyl; R.sup.4 is hydrogen or alkyl; n is 0 or 1; m is 0 or 1; R is hydrogen, alkyl, alkenyl, alkynyl, alkylthioalkyl, haloalkyl, alkoxyalkyl, cyanoalkyl, phenyl, benzyl, substituted phenyl or benzyl, or R is acyl of the formula ##STR2## wherein R.sup.5 is hydrogen, alkyl, haloalkyl, alkoxyalkyl, alkylthioalkyl, alkoxy, alkylthio, acetonyl, or the group -NR'R" wherein R' and R" are independently hydrogen, alkyl or phenyl; with the proviso that R.sup.2 and R.sup.3 may be joined together to form a carbocyclic ring or a heterocyclic ring; or R and R.sup.2 may be joined together to form a heterocyclic ring; or R and R.sup.3 may be joined together to form a heterocyclic ring.

  该式子表示的是一种新型N-卤代乙酰基苯胺羰基肟类化合物，其中Ar是苯基或取代苯基；R1是卤代甲基；R2和R3各自独立地是氢、烷基、苯基、苄基、取代苯基或苄基、卤代烷基、氰基烷基、烷氧基烷基、烷硫基烷基或硫氰基烷基；R4是氢或烷基；n为0或1；m为0或1；R是氢、烷基、烯基、炔基、烷硫基烷基、卤代烷基、烷氧基烷基、氰基烷基、苯基、苄基、取代苯基或苄基，或R是式子中的酰基：其中R5是氢、烷基、卤代烷基、烷氧基烷基、烷硫基烷基、烷氧基、烷硫基、丙酮基，或基团-NR'R"，其中R'和R"各自独立地是氢、烷基或苯基；但是需要注意的是，R2和R3可以连接在一起形成碳环或杂环；或R和R2可以连接在一起形成杂环；或R和R3可以连接在一起形成杂环。
• N-Haloacetylphenylamino carbonyl cyclic intermediates
  申请人：Chevron Research Company

  公开号：US04326077A1

  公开（公告）日：1982-04-20

  Novel N-haloacetylphenylamino carbonyl oximes represented by the formula ##STR1## wherein Ar is phenyl or substituted phenyl; R.sup.1 is halomethyl; R.sup.2 and R.sup.3 are each independently hydrogen, alkyl, phenyl, benzyl, substituted phenyl or benzyl, haloalkyl, cyanoalkyl, alkoxyalkyl, alkylthioalkyl or thiocyanoalkyl; R.sup.4 is hydrogen or alkyl; n is 0 or 1; m is 0 or 1; R is hydrogen, alkyl, alkenyl, alkynyl, alkylthioalkyl, haloalkyl, alkoxyalkyl, cyanoalkyl, phenyl, benzyl, substituted phenyl or benzyl, or R is acyl of the formula ##STR2## wherein R.sup.5 is hydrogen, alkyl, haloalkyl, alkoxyalkyl, alkylthioalkyl, alkoxy, alkylthio, acetonyl, or the group --NR'R" wherein R' and R" are independently hydrogen, alkyl or phenyl; with the proviso that R.sup.2 and R.sup.3 may be joined together to form a carbocyclic ring or a heterocyclic ring; or R and R.sup.2 may be joined together to form a heterocyclic ring; or R and R.sup.3 may be joined together to form a heterocyclic ring.

  代表公式为##STR1##的新型N-卤代乙酰基苯胺羰基肟，其中Ar是苯基或取代苯基；R1是卤代甲基；R2和R3分别独立地是氢、烷基、苯基、苄基、取代苯基或苄基、卤代烷基、氰基烷基、烷氧基烷基、烷硫基烷基或硫氰基烷基；R4是氢或烷基；n为0或1；m为0或1；R是氢、烷基、烯基、炔基、烷硫基烷基、卤代烷基、烷氧基烷基、氰基烷基、苯基、苄基、取代苯基或苄基，或R是公式##STR2##的酰基，其中R5是氢、烷基、卤代烷基、烷氧基烷基、烷硫基烷基、烷氧基、烷硫基、丙酮基或--NR'R"基，其中R'和R"独立地是氢、烷基或苯基；但R2和R3可连接在一起形成碳环或杂环；或R和R2可连接在一起形成杂环；或R和R3可连接在一起形成杂环。
• US4174210A
  申请人：——

  公开号：US4174210A

  公开（公告）日：1979-11-13
• US4260410A
  申请人：——

  公开号：US4260410A

  公开（公告）日：1981-04-07