甲基4-氨基-2-甲基-6,7-二氢-5H-环戊二烯并[b]吡啶-3-羧酸酯 | 130427-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 甲基4-氨基-2-甲基-6,7-二氢-5H-环戊二烯并[b]吡啶-3-羧酸酯
• 英文名称: 2-methyl-4-amino-5,6-trimethylene-pyridine-3-carboxylic acid methyl ester
• 英文别名: methyl 4-amino-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
• CAS: 130427-01-9
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: ZHAFBCASJFUBNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-氯吡啶-2-基)-3-(三氟甲基)-1H-吡唑-5-羧酸 、 甲基4-氨基-2-甲基-6,7-二氢-5H-环戊二烯并[b]吡啶-3-羧酸酯 在 草酰氯 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 、 四氢呋喃 为溶剂， 反应 4.5h， 生成 methyl 4-[[2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
  参考文献：
  名称：

  [EN] BYCYCLIC ANTHRANILAMIDE DERIVATIVES USEFUL AS INSECTICIDES
  [FR] NOUVEAUX INSECTICIDES

  摘要：

  公开号：

  WO2005085234A3
• 作为产物：
  描述：

  1-氨基-2-氰基-1-环戊烯 、 乙酰乙酸甲酯 在 四氯化锡 作用下， 以 甲苯 为溶剂， 以60%的产率得到甲基4-氨基-2-甲基-6,7-二氢-5H-环戊二烯并[b]吡啶-3-羧酸酯
  参考文献：
  名称：

  氯化锡（IV）促进β-二羰基化合物与腈的反应。氨基吡啶和氨基喹啉的合成。

  摘要：

  在化学计量的氯化锡（IV）存在下，β-酮酸酯和β-二酯与β-烯腈反应，生成4-氨基吡啶和吡啶酮，而与芳族邻氨基腈反应，生成4-氨基喹啉和喹诺酮。

  DOI：

  10.1016/s0040-4039(00)97429-x

文献信息

• Tin (IV) Chloride-promoted Synthesis of 4-Aminopyridines and 4-Aminoquinolines
  作者：Augusto C. Veronese、Rosella Callegari、Carlo F. Morelli

  DOI：10.1016/0040-4020(95)00773-2

  日期：1995.11

  Ortho-aminobenzonitriles 1 react with β-ketoesters and alkyl malonates, in the presence of stoichiometric amounts of tin(IV) chloride, to give 4-aminoquinolines 2 and 4-amino-2-quinolones 3 respectively. Similarly β-enaminonitriles 7 afford 4-aminopyridines 8 and 4-amino-2-pyridones 9.

  在化学计量的氯化锡（IV）存在下，邻氨基苯甲腈1与β-酮酸酯和丙二酸烷基酯反应，分别得到4-氨基喹啉2和4-氨基-2-喹诺酮3。类似地，β-烯腈7提供4-氨基吡啶8和4-氨基-2-吡啶酮9。
• VERONESE, AUGUSTO C.;CALLEGARI, ROSELLA;SALAH, SUADA AHMED ALI, TETRAHEDRON LETT., 31,(1990) N4, C. 3485-3488
  作者：VERONESE, AUGUSTO C.、CALLEGARI, ROSELLA、SALAH, SUADA AHMED ALI

  DOI：——

  日期：——
• Novel Insecticides
  申请人：Hughes John David

  公开号：US20070281930A1

  公开（公告）日：2007-12-06

  Compounds of the formula in which Z 1 is an oxygen atom; or a sulfur atom; Z 2 is an oxygen atom; or a sulfur atom; R 1 is an aryl or heteroaryl group, which is unsubstituted or substituted; R 2 is hydrogen; or an organic substituent; R 3 is hydrogen; or an organic substituent; R 4 is hydrogen; or an organic substituent; or R 3 and R 4 , taken together, form, together with the nitrogen atom, to which they are attached, a ring, which is unsubstituted or substituted; R 5 is hydrogen; or an unsubstituted or substituted alkyl group; or forms, taken together with R 8 or with a monovalent substituent attached to that atom of R 6 , via which atom R 6 is directly connected with the carbon atom, shown in the formula I, which carries R 5 , one additional bond; R 6 and R 7 , taken together, form, together with the two carbon atoms, shown in the formula I, to which atoms they are attached, a bicyclic ring system, which ring system is carbocyclic or heterocyclic, which ring system is substituted, in the manner shown in the formula I, by the four substituents —N(R 2 )—C(=Z 1 )—R 1 , —C(=Z 2 )-N(R 3 )—R 4 , R 5 and R 8 , and which ring system is optionally further substituted; and R 8 is hydrogen; or an unsubstituted or substituted alkyl group; or forms, taken together with R 5 or with a monovalent substituent attached to that atom of R 7 , via which atom R 7 is directly connected with the carbon atom, shown in the formula I, which carries R 8 , one additional bond, and, where appropriate, tautomers thereof, in each case in free form or in salt form, can be used as agrochemical active ingredients and can be prepared in a manner known per se.
• US7812170B2
  申请人：——

  公开号：US7812170B2

  公开（公告）日：2010-10-12
• [EN] PESTICIDAL MIXTURES<br/>[FR] MELANGES PESTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2007009661A2

  公开（公告）日：2007-01-25

  [EN] The invention relates to a pesticidal composition comprising as active ingredient a mixture consisting of one compound (A) as defined in the patent claims and at least one compound (B) as defined in the patent claims, to the use of such a composition, to a method of controlling pests using such a composition and to plant propagation material treated with such a composition.
  [FR] L'invention concerne une composition pesticide comprenant comme principe actif un mélange comprenant un composé (A) tel que défini dans les revendications du brevet et au moins un composé (B) tel que défini dans les revendications du brevet, l'utilisation d'une telle composition, un procédé de lutte contre les ravageurs mettant en oeuvre une telle composition et un matériau de propagation des végétaux traité au moyen d'une telle composition.