(4-chloro-6-methyl-pyrimidin-5-yl)-acetic acid methyl ester | 162498-46-6

• 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: (4-chloro-6-methyl-pyrimidin-5-yl)-acetic acid methyl ester
• 英文别名: methyl (4-chloro-6-methylpyrimidin-5-yl)acetate；Methyl (4-chloro-6-methyl-5-pyrimidinyl)-acetate；methyl 2-(4-chloro-6-methylpyrimidin-5-yl)acetate
• CAS: 162498-46-6
• 化学式: C₈H₉ClN₂O₂
• 分子量: 200.625
• InChiKey: MNCPYMORIFRRHT-UHFFFAOYSA-N

物化性质

• 沸点：
  297.4±35.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-chloro-6-methyl-pyrimidin-5-yl)-acetic acid methyl ester 在 四丁基碘化铵 、 sodium hydride 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 21.0h， 生成
  参考文献：
  名称：

  ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF

  摘要：

  The disclosure relates to compounds of formula (A) and formula (I), e.g.: (I) or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, L1, L2, L3, Y, and Q are as described herein. Compounds of formula (A) and formula (I) and pharmaceutical compositions thereof are inhibitors of at least one or more of avPs, avPi, and avPe integrins. Also disclosed are methods for treating fibrosis such as nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP), and cancer comprising administration of the compounds and pharmaceutical compositions thereof.

  公开号：

  WO2024145245A2
• 作为产物：
  描述：

  (4-hydroxy-2-mercapto-6-methyl-pyrimidin-5-yl)-acetic acid methyl ester 在 镍 、 三氯氧磷 作用下， 以 水 、 甲苯 为溶剂， 反应 19.0h， 生成 (4-chloro-6-methyl-pyrimidin-5-yl)-acetic acid methyl ester
  参考文献：
  名称：

  Craig, G. Wayne; Eberle, Martin; Lamberth, Clemens, Journal fur Praktische Chemie (Weinheim), 2000, vol. 342, # 5, p. 504 - 507

  摘要：

  DOI：

文献信息

• Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for
  申请人：Hoechst Schering AgrEvo GmbH

  公开号：US05852023A1

  公开（公告）日：1998-12-22

  Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides. The invention relates to compounds of the formula Ar--X-E-Q in which Ar is substituted or unsubstituted 4-pyridyl or 4-pyrimidinyl; X is NH, O, S, SO or SO.sub.2 ; E is a bond or alkanediyl; and Q is a substituted cycloalkyl or 4-piperidyl. The invention also relates to processes and intermediates for their preparation, to compositions comprising them and to their use as pesticides and fungicide.

  环己基氨基和环烷氧基氮杂环化合物，其制备方法，以及它们作为杀虫剂和杀菌剂的用途。该发明涉及到化合物的结构公式Ar--X-E-Q，其中Ar是取代或未取代的4-吡啶基或4-嘧啶基；X是NH，O，S，SO或SO.sub.2；E是键或脂肪二烷基；Q是取代的环烷基或4-哌啶基。该发明还涉及到其制备的过程和中间体，含有它们的组合物以及它们作为杀虫剂和杀菌剂的用途。
• Pyrimidinyl acrylic acid derivatives
  申请人：Sandoz Ltd.

  公开号：US05453427A1

  公开（公告）日：1995-09-26

  The invention discloses compounds of formula I It has now been found that compounds of formula I ##STR1## wherein R.sub.1 is hydrogen, methyl, ethyl or trifluoromethyl, and R.sub.2 is hydrogen, methyl, ethyl, C.sub.1-4 alkylthio, C.sub.1-4 alkoxy, or di-C.sub.1-4 alkylamino, and R.sub.3 is C.sub.1-10 alkyl, C.sub.1-10 haloalkyl, aryl, heteroaryl, aryl-C.sub.1-4 alkyl, heteroaryl-C.sub.1-4 alkyl, aryloxy-C.sub.1-4 alkyl, aryloxyaryl, arylaryl, heteroaryl, aryl-C.sub.1-4 alkoxyaryl, aryl-C.sub.1-4 alkoxy-C.sub.1-4 alkyl, heteroaryloxyaryl, aryloxy-C.sub.1-4 alkylaryl or aryl substituted by a group selected from --C(CH.sub.3).dbd.N--O--CH.sub.2 --aryl, --C(CH.sub.3).dbd.N--O--CH(CH.sub.3)--aryl, --C(CH.sub.3).dbd.N--C.sub.1-4 alkoxy, --C(CH.sub.3).dbd.N--C.sub.3-4 alkenyloxy,--C(CH.sub.3).dbd.N--C.sub.3-4 alkynyloxy, or --CH.sub.2 --O--N.dbd.C(CH.sub.3)--aryl, wherein each of the aromatic rings may be optionally substituted; the use of such compounds for the control of phytopathogens, compositions for facilitating such use, and the preparation of the compounds of fomula I.

  本发明公开了化合物I的公式。现在发现，化合物I的公式为： ##STR1## 其中，R1为氢、甲基、乙基或三氟甲基，R2为氢、甲基、乙基、C1-4烷基硫、C1-4烷氧基或双C1-4烷基氨基，R3为C1-10烷基、C1-10卤代烷基、芳基、杂环芳基、芳基-C1-4烷基、杂环芳基-C1-4烷基、芳氧基-C1-4烷基、芳氧基芳基、芳基芳基、杂环芳基、芳基-C1-4烷氧基芳基、芳基-C1-4烷氧基-C1-4烷基、杂环芳氧基芳基、芳氧基-C1-4烷基芳基或芳基被选择自--C(CH3)=N-O-CH2-芳基、--C(CH3)=N-O-CH(CH3)-芳基、--C(CH3)=N-C1-4烷氧基、--C(CH3)=N-C3-4烯氧基、--C(CH3)=N-C3-4炔氧基或--CH2-O-N=C(CH3)-芳基的基团取代的芳基，其中每个芳香环可以选择性地取代；使用这种化合物来控制植物病原体，为促进这种使用而制备的组合物以及化合物I的制备。
• Pyrimidinyl acrylic acid derivatives, process for their preparation and their use for the control of phytopathogens
  申请人：SANDOZ LTD.

  公开号：EP0634405A1

  公开（公告）日：1995-01-18

  Compounds of formula I wherein R₁is hydrogen, methyl, ethyl or trifluoromethyl, and R₂is hydrogen, methyl, ethyl, C₁₋₄alkylthio, C₁₋₄alkoxy, or di-C₁₋₄alkylamino, and R₃is C₁₋₁₀alkyl, C₁₋₁₀haloalkyl, aryl, heteroaryl, aryl-C₁₋₄alkyl, heteroaryl-C₁₋₄alkyl, aryloxy-C₁₋₄alkyl, aryloxyaryl, arylaryl, heteroaryl, aryl-C₁₋₄alkoxyaryl, aryl-C₁₋₄alkoxy-C₁₋₄alkyl, heteroaryloxyaryl, aryloxy-C₁₋₄alkylaryl or aryl substituted by a group selected from -C(CH₃)=N-O-CH₂-aryl, -C(CH₃)=N-O-CH(CH₃)-aryl, -C(CH₃)=N-C₁₋₄alkoxy, -C(CH₃)=N-C₃₋₄alkenyloxy, -C(CH₃)=N-C₃₋₄alkynyloxy, or -CH₂-O-N=C(CH₃)-aryl, wherein each of the aromatic rings may be optionally substituted; the use of such compounds for the control of phytopathogens, compositions for facilitating such use, and the preparation of the compounds of formula I.

  式 I 的化合物 式中 R₁ 是氢、甲基、乙基或三氟甲基，以及 R₂ 是氢、甲基、乙基、C₁₋₄烷硫基、C₁₋₄烷氧基或二₁₋₄烷基氨基，以及 R₃是 C₁₋₁₀烷基、C₁₋₁₀卤代烷基、芳基、杂芳基、芳基-C₁₋₄烷基、杂芳基-C₁₋₄烷基、芳氧基-C₁₋₄烷基、芳氧基芳基、芳芳基、杂芳基、芳基-C₁₋₄烷氧基芳基、芳基-C₁₋₄烷氧基-C₁₋₄烷基、杂芳氧基芳基、芳氧基-C₁₋₄烷芳基或被选自-C(CH₃)=N-O-CH₂-芳基、-C(CH₃)=N-O-CH(CH₃)-芳基、-C(CH₃)=N-C₁₋₄烷氧基的基团取代的芳基、-C(CH₃)=N-C₃₋₄烯氧基，-C(CH₃)=N-C₃₋₄炔氧基，或-CH₂-O-N=C(CH₃)-芳基，其中每个芳环可任选被取代； 将此类化合物用于控制植物病原体、促进此类用途的组合物，以及式 I 化合物的制备。
• [DE] PYRIMIDINDERIVATE, VERFAHREN UND ZWISCHENPRODUKTE ZU IHRER HERSTELLUNG UND SIE ENTHALTENDE MITTEL ZUR BEKÄMPFUNG VON TIERISCHEN SCHÄDLINGEN ODER VON SCHADPILZEN<br/>[EN] PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND PESTICIDES OR FUNGICIDES CONTAINING THESE DERIVATIVES<br/>[FR] DERIVES DE PYRIMIDINE, PROCEDE ET INTERMEDIAIRES SERVANT A LES PREPARER ET COMPOSITIONS PESTICIDES OU FONGICIDES LES CONTENANT
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：WO1997029093A1

  公开（公告）日：1997-08-14

  (DE) Pyrimidinderivate der Formel (I), in der die Substituenten die folgende Bedeutung haben: X C(CO2CH3)=NOCH3, C(CONHCH3)=NOCH3, C(CO2CH3)=CHOCH3, C(CO2CH3)=CHCH3, N(CO2CH3)-OCH3; R1 und R2 unabhängig voneinander Wasserstoff, C1-C4-Alkyl, C1-C4-Halogenalkyl oder C1-C4-Alkoxy; A (i), wobei die mit * gekennzeichnete Bindung zu Y erfolgt; R3 Wasserstoff, C1-C4-Alkyl, C1-C4-Halogenalkyl, Phenoxy-C1-C4-Alkyl, C3-C6-Cycloalkyl, Cyano, C1-C4-Alkoxy, Hydroxy, Halogen; R4 Wasserstoff, C1-C8-Alkyl, C1-C4-Halogenalkyl, C1-C6-Cyanoalkyl, C1-C4-Alkoxy-C1-C4-alkyl, C2-C4-Alkenyloxy-C1-C4-alkyl, C1-C4-Haloalkoxy-C1-C4-alkyl, C1-C4-Oxoalkyl, C2-C4-Alkenyl, C2-C4-Alkinyl, C2-C4-Halogenalkenyl, C2-C4-Halogenalkinyl, C3-C6-Cycloalkyl, C3-C6-Cycloalkyl-C1-C4-alkyl, C1-C4-Alkoxy; Y Wasserstoff, Hydroxy, Halogen, gegebenenfalls substituiertes Aryl, Hetaryl, Cycloalkyl, Cycloalkenyl, Heterocyclyl, Alkyl, Alkenyl, Alkinyl, Halogenalkyl, Alkoxy, Aryloxy, Arylthio, Hetaryloxy, Hetarylthio, Alkylthio oder Cycloalkyloxy; wobei im Fall, daß X für C(CO2CH3)=CHOCH3 steht, A nicht -O- bedeutet, sowie deren Salze, Verfahren und Zwischenprodukte zu ihrer Herstellung und sie enthaltende Mittel zur Bekämpfung von tierischen Schädlingen oder von Schadpilzen.(EN) The invention concerns pyrimidine derivatives of formula (I) in which the substituents have the following meanings: X is C(CO2CH3)=NOCH3, C(CONHCH3)=NOCH3, C(CO2CH3)=CHOCH3, C(CO2CH3)=CHCH3, N(CO2CH3)-OCH3; R1 and R2, independently of each other, are hydrogen, C1-C4 alkyl, C1-C4 alkyl halide or C1-C4 alkoxy; A is (i), the bond designated * being bonded to Y; R3 is hydrogen, C1-C4 alkyl, C1-C4 alkyl halide, phenoxy C1-C4 alkyl, C3-C6 cycloalkyl, cyano, C1-C4 alkoxy, hydroxy, halogen; R4 is hydrogen, C1-C8 alkyl, C1-C4 alkyl halide, C1-C6 cyanoalkyl, C1-C4 alkoxy-C1-C4 alkyl, C2-C4 alkenyloxy-C1-C4 alkyl, C1-C4 alkoxy halide-C1-C4 alkyl, C1-C4 oxoalkyl, C2-C4 alkenyl, C2-C4 alkinyl, C2-C4 alkenyl halide, C2-C4 alkinyl halide, C3-C6 cycloalkyl, C3-C6 cycloalkyl-C1-C4 alkyl, C1-C4 alkoxy; Y is hydrogen, hydroxy, halogen, optionally substituted aryl, hetaryl, cycloalkyl, cycloalkenyl, heterocyclyl, alkyl, alkenyl, alkinyl, alkyl halide, alkoxy, aryloxy, arylthio, hetaryloxy, hetarylthio, alkylthio or cycloalkyloxy; A not meaning -O- when X stands for C(CO2CH3)=CHOCH3. The invention also concerns the salts of these derivatives, a process and intermediate products for their preparation, and pesticides and fungicides containing them.(FR) Dérivés de pyrimidine représentés par la formule (I), dans laquelle les substituants possèdent la signification suivante: X représente C(CO2CH3)=NOCH3, C(CONHCH3)=NOCH3, C(CO2CH3)=CHOCH3, C(CO2CH3)=CHCH3, N(CO2CH3)-OCH3; R1 et R2 indépendamment l'un de l'autre représentent hydrogène, alkyle C1-C4, halogenalkyle C1-C4 ou alcoxy C1-C4; A est (i) permettant d'effectuer la liaison désignée par * avec Y; R3 représente hydrogène, alkyle C1-C4, halogenalkyle C1-C4, phenoxyalkyle C1-C4, cycloalkyle C3-C6, cyano, alcoxy C1-C4, hydroxy, halogène; R4 représente hydrogène, alkyle C1-C8, halogenalkyle C1-C4, cyanoalkyle C1-C6, alcoxy-C1-C4-alkyle-C1-C4, alcényloxy-C1-C4-alkyle-C1-C4, haloalcoxy-C1-C4-alkyle-C1-C4, oxoalkyle C1-C4, alcényle C2-C4, alcinyle C2-C4, halogenalcényle C2-C4, halogenalcinyle C2-C4, cycloalkyle C3-C6, cycloalkyle-C3-C6-alkyle-C1-C4, alcoxy C1-C4; Y représente hydrogène, hydroxy, halogène, et éventuellement substitué, aryle, hétaryle, cycloalkyle, cycloalcényle, hétérocyclyle, alkyle, alcényle, alcinyle, halogenalkyle, alcoxy, aryloxy, arylthio, hétaryloxy, hétarylthio, alkylthio ou cycloalkyloxy. Dans le cas ou X représente C(CO2CH3)=CHOCH3, A ne signifie pas -O-. L'invention concerne également leurs sels, procédés et intermédiaires servant à les préparer et compositions pesticides et fongicides les contenant.

  该发明涉及以以下公式(I)代表的嘌呤衍生物： X表示以下结构： C(CO₂CH₃)=NOCH₃、C(CONHCH₃)=NOCH₃、C(CO₂CH₃)=CHOCH₃、C(CO₂CH₃)=CHCH₃、N(CO₂CH₃)-OCH₃； R₁和R₂分别相互独立地为氢、C₁-C₄-烷基、C₁-C₄- halo烷基或C₁-C₄-甲氧基； A(i)，其中用*表示的键与Y相连； R₃为氢、C₁-C₄-烷基、C₁-C₄- halo烷基、C₁-C₄-甲氧基、Phenoxy-C₁-C₄-烷基、C₃-C₆-环烷基、氰、C₁-C₄-甲氧基、hydroxy、卤素； R₄为氢、C₁-C₈-烷基、C₁-C₄- halo烷基、C₁-C₆- 氨基丙烷、C₁-C₄-甲氧基- C₁-C₄-烷基、C₂-C₄-烯氧基- C₁-C₄-烷基、C₁-C₄- halide- O- C₁-C₄-烷基、C₁-C₄-甲基羰基、C₂-C₄-烯基、C₂-C₄-炔基、C₂-C₄- halogen炔基、C₂-C₄-炔基- halide、C₃-C₆-环烷基、C₃-C₆-环烷基- C₁-C₄-烷基、C₁-C₄-甲氧基； Y为氢、 hydroxy、卤素，或在某些情况下被取代的苯基、hétérbenc en基、 Cycloalkyl、 Cycloalkenyl、 Heterocyclyl、 alkyl、 alkenyl、 alkinyl、 haloalkyl、 alkoxy、 aryloxy、 arylthio、 hétéryloxy、 hétéarylthio、 alkylthio或 cycloalkyloxy； 在X代表C(CO₂CH₃)=CHOCH₃的情况下，A不表示 -O-。 该发明还涉及这些衍生物的盐，用于制备它们的方法和中间产物，以及含有所述衍生物的农药和 fungicides。
• PYRIMIDINDERIVATE, VERFAHREN UND ZWISCHENPRODUKTE ZU IHRER HERSTELLUNG UND SIE ENTHALTENDE MITTEL ZUR BEKÄMPFUNG VON TIERISCHEN SCHÄDLINGEN ODER VON SCHADPILZEN
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0882025A1

  公开（公告）日：1998-12-09