3-pentyl-2-propoxythieno[2.3-d]pyrimidin-4-one | 252963-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-pentyl-2-propoxythieno[2.3-d]pyrimidin-4-one
• 英文别名: 3-Pentyl-2-propoxythieno[2,3-d]pyrimidin-4-one
• CAS: 252963-44-3
• 化学式: C₁₄H₂₀N₂O₂S
• 分子量: 280.391
• InChiKey: VPKHFCLUUYZUFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  70.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  n-PrOH 、 2-aminothiophene-3-carboxylic acid pentyl-amide 、 四正丙氧基甲烷 生成 3-Pemtyl-2-propoxythieno[2.3-d]pyrimidin-4-one 、 3-pentyl-2-propoxythieno[2.3-d]pyrimidin-4-one
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Process for preparation of pyrimidinone derivatives
  申请人：——

  公开号：US20010018405A1

  公开（公告）日：2001-08-30

  A process for the preparation of compounds having plant protecting, in particular fungicidal properties, of the formula I 1 wherein A is a fused 5-membered heterocyclic ring which may be saturated or unsaturated, aromatic or non-aromatic and which may contain one or two hetero atoms O, S and/or N, or is fused benzo, pyrido or pyridazino; R 1 and R 2 are groups which are inert to the reactions; R 3 is optionally substituted C 1 -C 8 alkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkynyl, C 3 -C 6 cycloalkyl or C 3 -C 6 cycloalkyl-C 1 -C 6 alkyl; and R 4 is optionally substituted C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, C 3 -C 6 cycloalkyl or C 3 -C 6 cycloalkyl-C 1 -C 6 alkyl; in which process (a) a compound of the formula II, wherein A, R 1 , R 2 and R 3 are as defined for formula I, is reacted with an orthocarbonate of the formula III, wherein R 4 is as defined for formula I and Y is OR 4 , CN or NO 2 , to give the intermediate compound of formula IV; and subsequently (b) the compound of the formula IV is cyclized to a compound of the formula I 2

  一种制备具有植物保护性质，特别是杀真菌性质的化合物的方法，其中化合物的结构式为I1，其中A是融合的5元杂环环，可以是饱和或不饱和，芳香或非芳香，可以含有一个或两个杂原子O，S和/或N，或者是融合的苯并，吡啶或吡嗪环；R1和R2是对反应惰性的基团；R3是可选的取代C1-C8烷基，C2-C8烯基，C2-C8炔基，C3-C6环烷基或C3-C6环烷基-C1-C6烷基；R4是可选的取代C1-C6烷基，C2-C6烯基，C2-C6炔基，C3-C6环烷基或C3-C6环烷基-C1-C6烷基；在该过程中，(a)将式II的化合物与式III的正碳酸酯反应，其中R4如式I所定义，Y为OR4，CN或NO2，以得到式IV的中间体；随后(b)将式IV的化合物环化成为式I2的化合物。
• PROCESS FOR PREPARATION OF PYRIMIDINONE DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1087939A1

  公开（公告）日：2001-04-04
• [EN] PROCESS FOR PREPARATION OF PYRIMIDINONE DERIVATIVES<br/>[FR] PROCEDE DE PREPARATION DE DERIVES DE PYRIMIDINONE
  申请人：SYNGENTA PARTICIPATIONS AG .

  公开号：WO1999067202A1

  公开（公告）日：1999-12-29

  (EN) A process for the preparation of compounds having plant protecting, in particular fungicidal properties, of the formula (I), wherein A is a fused 5-membered heterocyclic ring which may be saturated or unsaturated, aromatic or non-aromatic and which may contain one or two hetero atoms O, S and/or N, or is fused benzo, pyrido or pyridazino; R1 and R2 are groups which are inert to the reactions; R3 is optionally substituted C1-C8alkyl, C2-C8alkenyl, C2-C8alkynyl, C3-C6cycloalkyl or C3-C6cycloalkyl-C1-C6alkyl; and R4 is optionally substituted C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, C3-C6cycloalkyl or C3-C6cycloalkyl-C1-C6alkyl; in which process (a) a compound of the formula (II), wherein A, R1, R2 and R3 are as defined for formula (I), is reacted with an orthocarbonate of the formula (III), wherein R4 is as defined for the formula (I) and Y is OR4, CN or NO2, to give the intermediate compound of formula (IV); and subsequently (b) the compound of the formula (IV) is cyclized to a compound of the formula (I).(FR) L'invention concerne un procédé de préparation de composés, lesquels possèdent une activité de protection de plantes, notamment des propriétés fongicides, et correspondent à la formule (I) dans laquelle A représente un noyau hétérocyclique condensé, à 5 chaînons, saturé ou non, aromatique ou non, et pouvant contenir un ou deux hétéroatomes O, S et/ou N, ou bien A est benzo-, pyrido- ou pyridazino-condensé; R1 et R2 représentent des groupes inertes aux réactions; R3 représente alkyle C1-C8, alcényle C2-C8, alcynyle C2-C8, cycloalkyle C3-C6, ou cycloalkyle C3-C6-alkyle C1-C6, éventuellement substitués; R4 représente alkyle C1-C6, alcényle C2-C6, alcynyle C2-C6, cycloalkyle C3-C6-alkyle C1-C6, éventuellement substitués. Dans ce procédé, (a) on fait réagir un composé correspondant à la formule (II), dans laquelle A, R1, R2 et R3 sont tels que définis dans la formule (I), avec un orthocarbonate correspondant à la formule (III), dans laquelle R4 est tel que défini dans la formule (I), et Y représente OR4, CN ou NO2, afin d'obtenir le composé intermédiaire de la formule (IV), et (b) on cyclise ultérieurement ce composé correspondant de la formule (IV), afin d'obtenir un composé correspondant à la formule (I).