(E)-6,6-二甲基-2-庚-1-烯-4-炔-1-胺 | 123926-47-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (E)-6,6-二甲基-2-庚-1-烯-4-炔-1-胺
• 英文名称: (E)-6,6-dimethyl-2-hepten-4-ynylamine
• 英文别名: (2E)-6,6-dimethylhept-2-en-4-yn-1-amine；(E)-6,6-dimethylhept-2-en-4-yn-1-amine
• CAS: 123926-47-6
• 化学式: C₉H₁₅N
• 分子量: 137.225
• InChiKey: YNUHPAYOOBCZSM-GQCTYLIASA-N

物化性质

• 沸点：
  220.7±23.0 °C(Predicted)
• 密度：
  0.869±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、可溶于二氯甲烷、DMF、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  邻苯二甲酸亚胺 、 1-bromo-6,6-dimethyl-2-hepten-4-yne 在 E 、 (E)-2-(6,6-Dimethyl-2-hepten-4-ynyl)-1H-isoindole-1,3(2H)-dione 、 正己烷 、 肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以to produce (E)-6,6-dimethyl-2-hepten-4-ynylamine的产率得到(E)-6,6-二甲基-2-庚-1-烯-4-炔-1-胺
  参考文献：
  名称：

  Substituted alkylamine derivatives

  摘要：

  公式（I）所代表的取代基烷基胺衍生物，其中R1代表（a）取代或未取代的C2-6烯丙基基团，（b）取代或未取代的C3-6环烯基基团，（c）取代或未取代的C2-6炔基基团，（d）取代或未取代的芳基基团，（e）取代或未取代的杂环基团，（f）可能被取代的融合杂环基团，或（g）由Ru11-Ar表示的基团，其中R11是杂环基团，Ar是5-或6-成员芳香环，可以含有杂原子N、O或S，且可以被取代；表示5-或6-成员芳香环，可以含有杂原子N、O或S，可以被R7取代，X和Y是连接基团，R2是H或较低的烷基，R3是氢、较低的烷基、较低的烯丙基、较低的炔基或较低的环烷基，R4和R5独立地表示氢或卤素原子，R6表示（a）取代或未取代的非环烷基，可以不饱和，（b）取代或未取代的环烷基，或（c）取代或未取代的苯基，或其非毒性盐。 （E）-N-（6-6-二甲基-2-庚烯-4-炔基）-N-乙基-3- [4-（3-噻吩基）-2-噻吩基]甲氧基]苯基胺盐酸盐是一个代表性的例子。这些取代基烷基胺衍生物可用作药物，特别是用于治疗和预防高胆固醇血症、高脂血症和动脉硬化。

  公开号：

  US05234946A1

文献信息

• Fungicides for the control of take-all disease of plants
  申请人：Monsanto Company

  公开号：US20010046975A1

  公开（公告）日：2001-11-29

  A method of controlling Take-all disease of plants by applying, preferably to the seed prior to planting, a fungicide of the formula 1 wherein Z 1 and Z 2 are C or N and are part of an aromatic ring selected from benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole, and isothiazole; A is selected from —C(X)-amine, —C(O)—SR 3 , —NH—C(X)R 4 , and —C(═NR )—XR 7 ; B is —W m —Q(R 2 ) 3 or selected from o-tolyl, 1-naphthyl, 2-naphthyl, and 9-phenanthryl, each optionally substituted with halogen or R 4 ; Q is C, Si, Ge, or Sn; W is —C(R 3 ) p H (2-p) —; or when Q is C, W is selected from —C(R 3 ) p H (2-p) —, —N(R 3 ) m H (1-m) —, —S(O) p —, and —O—; X is O or S; n is 0, 1, 2, or 3; m is 0 or 1; p is 0, 1, or 2; each R is independently selected from a) halo, formyl, cyano, amino, nitro, thiocyanato, isothiocyanato, trimethylsilyl, and hydroxy; b) C1-C4 alkyl, alkenyl, alkynyl, C3-C6 cycloalkyl, and cycloalkenyl, each optionally substituted with halo, hydroxy, thio, amino, nitro, cyano, formyl, phenyl, C1-C4 alkoxy, alkylcarbonyl, alkylthio, alkylamino, dialkylamino, alkoxycarbonyl, (alkylthio)carbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylsulfinyl, or alkylsulfonyl; c) phenyl, furyl, thienyl, pyrrolyl, each optionally substituted with halo, formyl, cyano, amino, nitro, C1-C4 alkyl, alkenyl, alkynyl, alkoxy, alkylthio, alkylamino, dialkylamino, haloalkyl, and haloalkenyl; d) C1-C4 alkoxy, alkenoxy, alkynoxy, C3-C6 cycloalkyloxy, cycloalkenyloxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylcarbonyl, alkylcarbonyloxy, alkoxycarbonyl, (alkylthio)carbonyl, phenylcarbonylamino, phenylamino, each optionally substituted with halo; wherein two R groups may be combined to form a fused ring; each R 2 is independently selected from alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl and phenyl, each optionally substituted with R 4 or halogen; and wherein, when Q is C, R 2 may also be selected from halo, alkoxy, alkylthio, alkylamino, and dialkylamino; wherein two R 2 groups may be combined to form a cyclo group with Q; R 3 is C1-C4 alkyl; R 4 is C1-C4 alkyl, haloalkyl, alkoxy, alkylthio, alkylamino, or dialkylamino; and R 7 is C1-C4 alkyl, haloalkyl, or phenyl, optionally substituted with halo, nitro, or R 4 ; or an agronomic salt thereof.

  通过在种子播种前，优选地向种子施用公式1的杀菌剂来控制植物的扁腐病，其中Z1和Z2是C或N，是从苯，吡啶，噻吩，呋喃，吡咯，吡唑，噻唑和异噻唑中选择的芳香环的一部分；A是从—C（X）-胺，—C（O）—SR3，—NH—C（X）R4和—C（═NR）—XR7中选择的；B是—Wm—Q（R2）3或从o-甲苯基，1-萘基，2-萘基和9-菲基中选择的，每个都可以用卤素或R4取代；Q是C，Si，Ge或Sn；W是—C（R3）pH（2-p）—；或当Q是C时，W从—C（R3）pH（2-p）—，—N（R3）mH（1-m）—，—S（O）p—和—O—中选择；X是O或S；n是0，1，2或3；m是0或1；p是0，1或2；每个R是独立选择的，从a）卤素，酰基，氰基，氨基，硝基，硫氰酸基，异硫氰酸基，三甲基硅基和羟基中选择；b）C1-C4烷基，烯基，炔基，C3-C6环烷基和环烯基，每个都可以用卤素，羟基，硫，氨基，硝基，氰基，酰基，苯基，C1-C4烷氧基，烷基羰基，烷基硫基，烷基氨基，二烷基氨基，烷氧羰基，（烷硫）羰基，烷基氨基羰基，二烷基氨基羰基，烷基亚砜基或烷基磺酰基取代；c）苯基，呋喃基，噻吩基，吡咯基，每个都可以用卤素，酰基，氰基，氨基，硝基，C1-C4烷基，烯基，炔基，烷氧基，烷基硫基，烷基氨基，二烷基氨基，卤代烷基和卤代烯基取代；d）C1-C4烷氧基，烯氧基，炔氧基，C3-C6环烷氧基，环烯氧基，烷基硫基，烷基亚砜基，烷基磺酰基，烷基氨基，二烷基氨基，烷基羰基氨基，氨基羰基，烷基氨基羰基，二烷基氨基羰基，烷基羰基，烷基羰氧基，烷氧羰基，（烷硫）羰基，苯基羰基氨基，苯基氨基，每个都可以用卤素取代；其中两个R基可以结合形成融合环；每个R2是独立选择的，从烷基，烯基，炔基，环烷基，环烯基和苯基中选择，每个都可以用R4或卤素取代；当Q为C时，R2还可以选择自卤素，烷氧基，烷基硫基，烷基氨基和二烷基氨基；其中两个R2基可以结合形成带有Q的环；R3是C1-C4烷基；R4是C1-C4烷基，卤代烷基，烷氧基，烷基硫基，烷基氨基或二烷基氨基；R7是C1-C4烷基，卤代烷基或苯基，可以选择自卤素，硝基或R4取代；或其农学盐。
• Fungicides for the control of take-all desease of plants
  申请人：MONSANTO COMPANY

  公开号：EP0619297A1

  公开（公告）日：1994-10-12

  A method of controlling Take-all disease of plants by applying, preferably to the seed prior to planting, a fungicide of the formula A is -C(X)-amine; B is -Wm-Q(R₂)₃; and A can be B when B is A except when the formula is f), Q cannot be Si; Q is C or si; W is -NH-, -NCH₃₋- or -O-; X is O or S; m is 0 or 1, provided that m is 0 when Q is Si; n is 0, 1, 2, or 3 p is 0, 1 or 2; and n plus p is equal to or less than 3;

  一种控制植物 "啄木鸟 "病的方法，最好在播种前对种子施用一种杀菌剂，其配方如下 A 是-C(X)-胺；B 是-Wm-Q(R₂)₃；当 B 是 A 时，A 可以是 B，除非当式为 f)时，Q 不能是 Si； Q 是 C 或 Si； W 是-NH-、-NCH₃₋- 或-O-； X 是 O 或 S； m 是 0 或 1，但当 Q 是 Si 时，m 为 0； n 是 0、1、2 或 3 p 为 0、1 或 2；n 加 p 等于或小于 3；
• Fungicidal compositions and their applications in agriculture
  申请人：Monsanto Technology LLC

  公开号：EP2193711A2

  公开（公告）日：2010-06-09

  Fungicidal compositions are provided that comprise a silthiofam-type fungicide and a fungicide that is selected from the group consisting of diazole fungicides, triazole fungicides and strobilurin type fungicides. Combinations of fluqinconazole and simeconazole or azoxystrobin, and simeconazole and azoxystrobin are also provided. Methods for treating plants and plant propagation materials with the fungicidal compositions are also taught, as are plants and their propagation materials which have been so treated, and controlled release formulations that contain the fungicidal compositions.

  提供的杀菌组合物包括硅藻土类杀菌剂和选自重氮唑类杀菌剂、三唑类杀菌剂和石硫合剂类杀菌剂的杀菌剂。此外，还提供了氟环唑与嘧菌酯或唑菌酯的复配制剂，以及嘧菌酯与唑菌酯的复配制剂。此外，还介绍了用杀真菌剂组合物处理植物和植物繁殖材料的方法，以及经过这种处理的植物及其繁殖材料和含有杀真菌剂组合物的控释制剂。
• Method of microencapsulating an agricultural active having a high melting point and uses for such materials
  申请人：Monsanto Technology, L.L.C.

  公开号：US20030022791A1

  公开（公告）日：2003-01-30

  A method of producing a controlled release form of an agricultural active material includes the provision of an organic liquid composition in which the active is present, but where the liquid composition is free from aromatic solvents and is maintained below the normal melting point of the active. The liquid composition is formed into small droplets and the droplets are enclosed by a non-water soluble shell to provide microcapsules, the shell of which is designed to release the agricultural active at a pre-selected controlled rate when the microcapsule is exposed to natural environmental conditions. Controlled release forms of agricultural actives are also provided.

  一种生产农用活性物质控释形式的方法包括提供一种有机液体组合物，其中含有活性物质，但液体组合物不含芳香族溶剂，并保持低于活性物质的正常熔点。液体组合物形成小液滴，小液滴被非水溶性外壳包裹，形成微胶囊，当微胶囊暴露在自然环境条件下时，微胶囊外壳可按预先选择的可控速率释放农用活性物质。此外，还提供了农业活性物质的控释形式。
• Method of improving yield and vigor of plants by treatment with diazole, triazole and strobilurin-type fungicides
  申请人：Monsanto Technology, L.L.C.

  公开号：US20030060371A1

  公开（公告）日：2003-03-27

  A method of improving the yield and vigor of an agronomic plant involves treating plants such as soybeans and corn and/or their propagation material with a composition that includes an active agent, such as a diazole fungicide, a triazole fungicide, or a strobilurin-type fungicide, which has the capacity to improve the yield and/or the vigor of the plant in the absence of pest pressure by fungal plant pathogens. Formulations that contain a diazole fungicide, a triazole fungicide, or a strobilurin-type fungicide, and plants and plant propagation material, such as seeds, which have been treated by the novel method are also described.

  一种提高农艺植物产量和活力的方法是用一种组合物处理大豆和玉米等植物和/或其繁殖材料，该组合物包括一种活性剂，如重氮唑类杀菌剂、三唑类杀菌剂或岩霉菌素类杀菌剂，在没有植物真菌病原体的害虫压力下，该活性剂具有提高植物产量和/或活力的能力。此外，还介绍了含有重氮唑类杀真菌剂、三唑类杀真菌剂或strobilurin类杀真菌剂的制剂，以及用新方法处理过的植物和植物繁殖材料，如种子。