2-cyclopropyl-6-(diethoxymethyl)-4(1H)-pyrimidinone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-cyclopropyl-6-(diethoxymethyl)-4(1H)-pyrimidinone
• 英文别名: 2-cyclopropyl-4-(diethoxymethyl)-1H-pyrimidin-6-one
• 化学式: C₁₂H₁₈N₂O₃
• 分子量: 238.287
• InChiKey: XUKBKOUPCBWXBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  59.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-cyclopropyl-6-(diethoxymethyl)-4(1H)-pyrimidinone 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl 5-bromo-2-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylate
  参考文献：
  名称：

  [EN] HERBICIDAL PYRIMIDINES
  [FR] PYRIMIDINES HERBICIDES

  摘要：

  化学式I的化合物及其N-氧化物和农业适用盐被披露，这些化合物对控制不受欢迎的植被很有用，其中R1是环丙基，可选择地用1-5个R5取代，异丙基，可选择地用1-5个R6取代，或苯基，可选择地用1-3个R7取代；R2是((O)jC(R15)(R16))kR；R是CO2H或CO2H的具有除草作用的衍生物；R3是卤素，氰基，硝基，OR20，SR21或N(R22)R23；R4是-N(R24)R25或-NO2；j为0或1；k为0或1；但是当k为0时，j为0；R5、R6、R7、R15、R16、R20、R21、R22、R23、R24和R25的定义如披露中所述。还披露了包含化学式I的化合物的组合物以及一种控制不受欢迎的植被的方法，该方法涉及使用化学式I的化合物的有效量与植被或其环境接触。还披露了包含化学式I的化合物的组合物，以及至少选择自其他除草剂和除草剂增效剂组的另一种活性成分。

  公开号：

  WO2005063721A1
• 作为产物：
  描述：

  sodium salt of ethyl 4,4-diethoxy-3-oxobutanoate 、 环丙甲脒盐酸盐 以 乙醇 、 甲苯 为溶剂， 以88%的产率得到2-cyclopropyl-6-(diethoxymethyl)-4(1H)-pyrimidinone
  参考文献：
  名称：

  WO2006/124657

  摘要：

  公开号：

文献信息

• Method for Preparing Substituted Pyrimidines
  申请人：Annis Gary David

  公开号：US20090054647A1

  公开（公告）日：2009-02-26

  Disclosed a method for preparing a compound of Formula 1, wherein R 1 is cyclopropyl, 4-chlorophenyl or 4-bromophenyl; and R 2 is C 1 -C 14 alkyl; comprising contacting a compound of Formula 2 with a persulfate oxidant in the presence of a strong sulfur- or phosphorus-containing mineral acid and an oxidation resistant solvent. Also disclosed are methods for preparing the compound of Formula 2 from a compound of Formula 5 as well as compounds of Formula 6 and salts thereof, wherein R is NH 2 , Cl or OH; X is H or Cl; R 1 is cyclopropyl, 4-chlorophenyl or 4-bromophenyl; and R 2 is C 1 -C 14 alkyl; provided that when R is NH 2 or Cl, then X is Cl; which are useful a process intermediates.

  公开了一种制备式1化合物的方法，其中R1为环丙基，4-氯苯基或4-溴苯基；R2为C1-C14烷基；包括在强硫酸或含磷矿物酸和抗氧化溶剂的存在下，将式2化合物与过硫酸盐氧化剂接触。还公开了从式5化合物制备式2化合物的方法，以及式6化合物及其盐的方法，其中R为NH2，Cl或OH；X为H或Cl；R1为环丙基，4-氯苯基或4-溴苯基；R2为C1-C14烷基；前提是当R为NH2或Cl时，X为Cl；它们是有用的过程中间体。
• Herbicidal pyrimidines
  申请人：Clark Alan David

  公开号：US20070197391A1

  公开（公告）日：2007-08-23

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation wherein R 1 is cyclopropyl optionally substituted with 1-5 R 5 , isopropyl optionally substituted with 1-5 R 6 , or phenyl optionally substituted with 1-3 R 7 ; R 2 is ((O) j C(R 15 )(R 16 )) k R; R is CO 2 H or a herbicidally effective derivative of CO 2 H; R 3 is halogen, cyano, nitro, OR 20 , SR 21 or N(R 22 )R 23 ; R 4 is —N(R 24 )R 25 or —NO 2 ; j is 0 or 1; and k is 0 or 1; provided that when k is 0, then j is 0; and R 5 , R 6 , R 7 , R 15 , R 16 , R 20 , R 21 , R 22 , R 23 , R 24 and R 25 are as defined in the disclosure. Also disclosed are compositions comprising the compounds of Formula I and a method for controlling undesired vegetation which involves contacting the vegetation or its environment with an effective amount of a compound of Formula I. Also disclosed are compositions comprising a compound of Formula I and at least one additional active ingredient selected from the group consisting of an other herbicide and a herbicide safener.

  本文披露了化学式I的化合物及其N-氧化物和适用于农业的盐，其可用于控制不良杂草，其中R1为环丙基，可选择地用1-5个R5取代，异丙基，可选择地用1-5个R6取代，或苯基，可选择地用1-3个R7取代；R2为((O)jC(R15)(R16))kR；R为CO2H或CO2H的除草有效衍生物；R3为卤素，氰基，硝基，OR20，SR21或N(R22)R23；R4为—N(R24)R25或—NO2；j为0或1；k为0或1；前提是当k为0时，j为0；R5、R6、R7、R15、R16、R20、R21、R22、R23、R24和R25的定义如本文所述。还披露了包含化学式I的化合物的组合物以及控制不良杂草的方法，该方法涉及使用化学式I的化合物与杂草或其环境接触的有效量。还披露了包含化学式I的化合物和至少一种从其他除草剂和除草剂安全剂组成的其他活性成分的组合物。
• HERBICIDAL PYRIMIDINES
  申请人：CLARK DAVID ALAN

  公开号：US20110077156A1

  公开（公告）日：2011-03-31

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation wherein R 1 is cyclopropyl optionally substituted with 1-5 R 5 , isopropyl optionally substituted with 1-5 R 6 , or phenyl optionally substituted with 1-3 R 7 ; R 2 is ((O) j C(R 15 )(R 16 )) k R; R is CO 2 H or a herbicidally effective derivative of CO 2 H; R 3 is halogen, cyano, nitro, OR 20 , SR 21 or N(R 22 )R 23 ; R 4 is —N(R 24 )R 25 or —NO 2 ; j is 0 or 1; and k is 0 or 1; provided that when k is 0, then j is 0; and R 5 , R 6 , R 7 , R 15 , R 16 , R 20 , R 21 , R 22 , R 23 , R 24 and R 25 are as defined in the disclosure. Also disclosed are compositions comprising the compounds of Formula I and a method for controlling undesired vegetation which involves contacting the vegetation or its environment with an effective amount of a compound of Formula I. Also disclosed are compositions comprising a compound of Formula I and at least one additional active ingredient selected from the group consisting of an other herbicide and a herbicide safener.

  公开了化学式I的化合物及其N-氧化物和农业适用盐，用于控制不良植被，其中R1是环丙基，可选地被1-5个R5取代，或者是异丙基，可选地被1-5个R6取代，或者是苯基，可选地被1-3个R7取代；R2是((O)jC(R15)(R16))kR；R是CO2H或CO2H的除草有效衍生物；R3是卤素、氰基、硝基、OR20、SR21或N(R22)R23；R4是-N(R24)R25或-NO2；j为0或1；k为0或1；但是当k为0时，j为0；并且R5、R6、R7、R15、R16、R20、R21、R22、R23、R24和R25如公开所定义的。还公开了包含化合物I的组合物以及一种用于控制不良植被的方法，其中涉及将植被或其环境与化合物I的有效量接触。还公开了包含化合物I和至少一种来自群组中的其他除草剂和除草剂安全剂的额外活性成分的组合物。
• Method for preparing substituted pyrimidines
  申请人：E. I. du Pont de Nemours and Company

  公开号：US08013155B2

  公开（公告）日：2011-09-06

  Disclosed a method for preparing a compound of Formula 1, wherein R1 is cyclopropyl, 4-chlorophenyl or 4-bromophenyl; and R2 is C1-C14 alkyl; comprising contacting a compound of Formula 2 with a persulfate oxidant in the presence of a strong sulfur- or phosphorus-containing mineral acid and an oxidation resistant solvent. Also disclosed are methods for preparing the compound of Formula 2 from a compound of Formula 5 as well as compounds of Formula 6 and salts thereof, wherein R is NH2, Cl or OH; X is H or Cl; R1 is cyclopropyl, 4-chlorophenyl or 4-bromophenyl; and R2 is C1-C14 alkyl; provided that when R is NH2 or Cl, then X is Cl; which are useful a process intermediates.

  公开了一种制备式1化合物的方法，其中R1为环丙基、4-氯苯基或4-溴苯基；R2为C1-C14烷基；包括将式2化合物与过硫酸盐氧化剂在强硫或磷含量的矿酸和耐氧化的溶剂存在下接触。还公开了从式5化合物制备式2化合物的方法，以及式6化合物及其盐的方法，其中R为NH2、Cl或OH；X为H或Cl；R1为环丙基、4-氯苯基或4-溴苯基；R2为C1-C14烷基；但当R为NH2或Cl时，X为Cl。这些化合物是有用的过程中间体。
• METHOD FOR PREPARING SUBSTITUTED PYRIMIDINES
  申请人：E. I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP1888536A1

  公开（公告）日：2008-02-20