5-chloro-2-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acid | 858956-26-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 5-chloro-2-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acid
• 英文别名: 5-chloro-2-cyclopropyl-l1,6-dihydro-6-oxo-4-pyrimidine-carboxylic acid；5-Chloro-2-cyclopropyl-6-hydroxypyrimidine-4-carboxylic acid；5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid
• CAS: 858956-26-0
• 化学式: C₈H₇ClN₂O₃
• 分子量: 214.608
• InChiKey: BFVDWJIMPJYKGH-UHFFFAOYSA-N

物化性质

• 密度：
  1.86±0.1 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  5-chloro-2-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acid 在 三氯氧磷 作用下， 反应 5.0h， 生成 5,6-二氯-2-环丙基-嘧啶-4-羧酸
  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：

  2-cyclopropyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid 在 盐酸 、 sodium hypochlorite 作用下， 以 水 为溶剂， 反应 1.0h， 以7.5 g的产率得到5-chloro-2-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acid
  参考文献：
  名称：

  Fatty Amine Salts Of Herbicidal Pyrimidines

  摘要：

  这项发明涉及（1）通过将下面给出的式I所披露的一个或多个化合物的酸形式与至少一种长链脂肪胺反应制备的可溶性中间体；（2）通过将下面给出的式I所披露的一个或多个化合物与至少一种长链脂肪胺反应以形成式I化合物的脂肪胺盐来溶解一个或多个化合物的过程；以及（3）包括至少一种可溶性中间体，即式I化合物的脂肪胺盐的成品杀虫剂产品。其中R1是环丙基，可选地取代为1-5个R5，异丙基，可选地取代为1-5个R6，或苯基，可选地取代为1-3个R7；R2是((O)jC(R15)(R16))kR；R是CO2H或CO2H的除草剂有效衍生物；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；但当k为0时，j为0；而R5、R6、R7、R15、R16、R20、R21、R22、R23、R24和R25如披露中所定义。

  公开号：

  US20130303369A1

文献信息

• [EN] PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES<br/>[FR] DÉRIVÉS DE PYRIMIDINE ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：SYNGENTA LTD

  公开号：WO2010092339A1

  公开（公告）日：2010-08-19

  The present invention relates to substituted pyrimidine derivatives, as well as N- oxides thereof and agriculturally acceptable salts thereof, and their use to control undesired plant growth, in particular in crops of useful plants. The invention extends to herbicidal compositions comprising such compounds, N-oxides and/or salts as well as mixtures of the same with one or more further active ingredient (such as, for example, an herbicide, fungicide, insecticide and/or plant growth regulator) and/or a safener. The invention further relates to intermediates useful in the preparation of such compounds, and to processes for their preparation.

  本发明涉及取代嘧啶衍生物，以及其N-氧化物和农业上可接受的盐，以及它们在控制不受欢迎的植物生长方面的用途，特别是在有用植物的作物中。该发明涉及包括这些化合物、N-氧化物和/或盐以及与一种或多种进一步活性成分（例如除草剂、杀菌剂、杀虫剂和/或植物生长调节剂）和/或安全剂的混合物在内的除草剂组合物。该发明还涉及在制备这些化合物中有用的中间体，以及它们的制备方法。
• [EN] HERBICIDAL PYRIMIDINES<br/>[FR] PYRIMIDINES HERBICIDES
  申请人：DU PONT

  公开号：WO2005063721A1

  公开（公告）日：2005-07-14

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation wherein R1 is cyclopropyl optionally substituted with 1-5 R5, isopropyl optionally substituted with 1-5 R6, or phenyl optionally substituted with 1-3 R7; R2 is ((O)jC(R15)(R16))kR; R is CO2H or a herbicidally effective derivative of CO2H; R3 is halogen, cyano, nitro, OR20, SR21 or N(R22)R23; R4 is -N(R24)R25 or -NO2; j is 0 or 1; and k is 0 or 1; provided that when k is 0, then j is 0; and R5, R6, R7, R15, R16, R20, R21, R22, R23, R24 and R25 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.

  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。
• Method for Preparation of Optionally 2-Substituted 1,6-Dihydro-6-Oxo-4-Pyrimidinecarboxylic Acids
  申请人：Shapiro Rafael

  公开号：US20090043098A1

  公开（公告）日：2009-02-12

  A new method for the preparation of optionally 2-substituted 1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acid compound of Formula 1 is disclosed wherein R 1 is H or an optionally substituted carbon moiety.

  一种制备可选用2-取代的1,6-二氢-6-氧代-4-嘧啶羧酸化合物（化学式1）的新方法被揭示，其中R1为氢或可选取代的碳基团。
• 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。