(4R)-4-amino-2-ethylisoxazolidin-3-one hydrochloride | 1415242-47-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4R)-4-amino-2-ethylisoxazolidin-3-one hydrochloride
• 英文别名: [(4R)-2-ethyl-3-oxoisoxazolidin-4-yl]ammonium chloride；[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]azanium;chloride
• CAS: 1415242-47-5
• 化学式: C₅H₁₀N₂O₂*ClH
• 分子量: 166.608
• InChiKey: MRFVHKKRJHSCBD-PGMHMLKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.47
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-8-methyl-4-oxo-4H-benzo[d][1,3]oxazine-6-carbonitrile 、 (4R)-4-amino-2-ethylisoxazolidin-3-one hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以40%的产率得到rac-(R)-3-bromo-1-(3-chloropyridin-2-yl)-N-(4-cyano-2-((2-ethyl-3-oxoisoxazolidin-4-yl)carbamoyl)-6-methylphenyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  [EN] ANTHRANILAMIDES, THEIR USE AS INSECTICIDE AND PROCESSES FOR PREPARING THE SAME.
  [FR] ANTHRANILAMIDES, LEUR UTILISATION EN TANT QU'INSECTICIDES ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  本发明提供了新型的Formula I的蒽酰胺，其中，W1、W2、D、Z1、E、R1、R2、R3、R4、m的定义如描述中所述。本发明还涉及Formula I化合物的组合、组成、用途和应用方法。

  公开号：

  WO2019123194A1
• 作为产物：
  描述：

  (4R)-N-ethyl-N-hydroxy-2-oxo-oxazolidine-4-carboxamide 在 盐酸 、 三乙胺 作用下， 反应 2.0h， 生成 (4R)-4-amino-2-ethylisoxazolidin-3-one hydrochloride
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF SUBSTITUTED CYCLOSERINES
  [FR] PROCÉDÉ DE PRÉPARATION DE CYCLOSÉRINES SUBSTITUÉES

  摘要：

  本发明涉及制备式(I)的取代环丝氨酸化合物的过程，其中R1为C1-C8烷基，C1-C8卤代烷基，C3-C6环烷基，芳基或被1至5个R11取代的芳基，或芳基-C1-C4烷基或被1至5个R11取代的芳基-C1-C4烷基；每个R11独立地为C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，C1-C4卤代烷氧基，氰基或卤素；该发明还涉及由这些过程产生的中间体。式(I)的化合物是在农业和制药领域生产化合物的有用中间体。

  公开号：

  WO2015166094A1

文献信息

• [EN] INSECTICIDAL COMPOUNDS<br/>[FR] COMPOSÉS INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2012163959A1

  公开（公告）日：2012-12-06

  The present invention provides compounds of formula (I): wherein A1, A2, A3 and A4 are independently of one another C-H, C-R5, or nitrogen; B1--B2--B3--B4 is -CH2-C=N-CH2-, -CH2-N-CH2-CH2-, -CH2-C=CH-0- or -CH=C-CH2-0-; G1 is oxygen or sulfur; L is a single bond or C1-C8alkylene; R1 is hydrogen, C1-C8alkyl, C1-C8alkylcarbonyl-, C1-C8alkoxy, C2-C8alkenyl, C2-C8alkynyl, C1-C8alkoxy- C1-C8alkyl, aryl or aryl substituted by one to three R6, or R1 is heterocyclyl or heterocyclyl substituted by one to three R6 or C1-C8alkoxycarbonyl-; R2 is hydrogen, C1-C8haloalkyl or C1-C8alkyl; R3 is C1-C8haloalkyl; R4 is aryl or aryl substituted by one to three R6, or R4 is heterocyclyl or heterocyclyl substituted by one to three R6; Y1 is CR7R8, C=O or C=S; Y2, Y3 and Y4 are independently CR7R8, C=0, C=S, N-R9, O, S, SO or SO2; wherein at least two adjacent ring atoms in the ring formed by Y1, Y2, Y3 and Y4 are heteroatoms; each R7 and R8 is independently hydrogen, halogen, C1-C8alkyl, or C1-C8haloalkyl; and R5, R6, R7, R8 and R9 are as defined in the claims. The invention also relates to processes and intermediates for preparing these compounds, to insecticidal, acaricidal, nematicidal and molluscicidal compositions comprising these compounds and to methods of using these compounds to control insect, acarine, nematode and mollusc pests.

  本发明提供了以下式（I）的化合物：其中A1、A2、A3和A4彼此独立地为C-H、C-R5或氮；B1--B2--B3--B4为-CH2-C=N-CH2-、-CH2-N-CH2-CH2-、-CH2-C=CH-0-或-CH=C-CH2-0-；G1为氧或硫；L为单键或C1-C8烷基；R1为氢、C1-C8烷基、C1-C8烷基羰基、C1-C8烷氧基、C2-C8烯基、C2-C8炔基、C1-C8烷氧基-C1-C8烷基、芳基或被1至3个R6取代的芳基，或R1为杂环烷基或被1至3个R6或C1-C8烷氧羰基取代的杂环烷基；R2为氢、C1-C8卤代烷基或C1-C8烷基；R3为C1-C8卤代烷基；R4为芳基或被1至3个R6取代的芳基，或R4为杂环烷基或被1至3个R6取代的杂环烷基；Y1为CR7R8、C=O或C=S；Y2、Y3和Y4独立地为CR7R8、C=0、C=S、N-R9、O、S、SO或SO2；其中由Y1、Y2、Y3和Y4形成的环中至少有两个相邻的环原子为杂原子；每个R7和R8独立地为氢、卤素、C1-C8烷基或C1-C8卤代烷基；而R5、R6、R7、R8和R9如权利要求中所定义。本发明还涉及制备这些化合物的过程和中间体，包括这些化合物的杀虫剂、杀螨剂、杀线虫剂和杀软体动物剂组合物，以及使用这些化合物控制昆虫、螨类、线虫和软体动物害虫的方法。
• [EN] PROCESS FOR PREPARATION OF OPTICALLY ENRICHED ALDOL COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS D'ALDOL OPTIQUEMENT ENRICHIS
  申请人：BASF SE

  公开号：WO2020088949A1

  公开（公告）日：2020-05-07

  The present invention relates to a process for preparing benzylic amidesof formula (I) wherein the variables are as defined in the specification, and the shown enantiomer has at least 50 % ee; by condensation of a ketone o formula (II) with an acetyl compound of formula (III) in the presence of a catalystof formula (IV) wherein the variables are as defined in the specification.

  本发明涉及一种制备苄基酰胺的方法，其化学式为(I)，其中变量如规范中所定义，并且所示的对映体至少具有50%的ee；通过在催化剂的存在下，将酮的化学式(II)与醋酰化合物的化学式(III)缩合而得，其中变量如规范中所定义。
• [EN] ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS<br/>[FR] DÉRIVÉS D'ISOXAZOLINE UTILISÉS COMME COMPOSÉS INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013050302A1

  公开（公告）日：2013-04-11

  The present invention provides compounds of formula I wherein G1 is oxygen; R1 is hydrogen; R2 is group P L is a bond, methylene or ethylene; R3 is hydrogen; R4 is independently hydrogen, cyano, cyano-C1-C8alkyl, C1-C8alkyl, C1-C8haloalkyl, C3-C8cycloalkyl, C3-C8cycloalkyl where one carbon atom is replaced by O, S, S(O) or SO2, or C3- Cgcycloalkyl-C1-C8alkyl, C3-C8cycloalkyl-C1-C8alkyl where one carbon atom in the cycloalkyl group is replaced by O, S, S(O) or SO2, or C3-C8cycloalkyl-C1-C8haloalkyl, C1-C8hydroxyalkyl, C1-C8alkoxy-C1-C8alkyl, C2-C8alkenyl, C2-C8haloalkenyl, C2-C8alkynyl, C2-C8haloalkynyl, phenyl, phenyl substituted by one to three R6, phenyl-C1-C4alkyl, phenyl-C1-C4alkyl wherein the phenyl moiety is substituted by one to three R6, 5-6 membered heteroaryl-C1-C4alkyl or 5-6 membered heteroaryl-C1-C4alkyl wherein the heteroaryl moiety is substituted by one to three R6, or C1-C4alkyl-(C1-C4alkyl-O-N=)C-CH2-; each R6 is independently halogen, cyano, nitro, C1-C8alkyl, C1-C8haloalkyl, C1-C8alkoxy, or C1- C8haloalkoxy; Y1, Y2 and Y3 are independently CH or nitrogen; wherein no more than two of Y1, Y2 and Y3 are nitrogen and wherein Y2 and Y3 are not both nitrogen; R5 is hydrogen, halogen, cyano, nitro, NH2, C1-C2alkyl, C1-C2haloalkyl, C3-C5cycloalkyl, C1- C2halocycloalkyl, C1-C2alkoxy, C1-C2haloalkoxy; or Y1 is CR7, and R5 and R7 together form a - CH=CH-CH=CH- bridge or a -N=CH-CH=CH- bridge; X2 is C-X6 or nitrogen; X1,X3 and X6 are independently hydrogen, halogen or trihalomethyl, wherein at least two of X1, X3 and X6 are not hydrogen; X4 is trifluoromethyl, difhioromethyl or chlorodifluoromethyl. or a salt or N-oxide thereof. The invention also provides intermediates useful for the preparation of compounds of formula I, as well as methods of controlling insects, acarines, nematodes or molluscs using the compounds of formula I.

  本发明提供了以下式I的化合物，其中G1是氧；R1是氢；R2是P基团；L是键，亚甲基或乙烯基；R3是氢；R4独立地是氢、氰基、氰基-C1-C8烷基、C1-C8烷基、C1-C8卤代烷基、C3-C8环烷基、C3-C8环烷基其中一个碳原子被O、S、S(O)或SO2取代，或C3-C8环烷基-C1-C8烷基、C3-C8环烷基-C1-C8烷基其中环烷基中一个碳原子被O、S、S(O)或SO2取代，或C3-C8环烷基-C1-C8卤代烷基、C1-C8羟基烷基、C1-C8烷氧基-C1-C8烷基、C2-C8烯基、C2-C8卤代烯基、C2-C8炔基、C2-C8卤代炔基、苯基、苯基取代一个至三个R6、苯基-C1-C4烷基、苯基-C1-C4烷基其中苯基取代一个至三个R6、5-6成员杂环烷基-C1-C4烷基或5-6成员杂环烷基-C1-C4烷基其中杂环烷基取代一个至三个R6，或C1-C4烷基-(C1-C4烷氧基-N=)C-CH2-；每个R6是独立的卤素、氰基、硝基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基或C1-C8卤代烷氧基；Y1、Y2和Y3独立地是CH或氮；其中不超过两个Y1、Y2和Y3是氮，且Y2和Y3不同时是氮；R5是氢、卤素、氰基、硝基、NH2、C1-C2烷基、C1-C2卤代烷基、C3-C5环烷基、C1-C2卤代环烷基、C1-C2烷氧基、C1-C2卤代烷氧基；或Y1是CR7，且R5和R7一起形成一个-CH=CH-CH=CH-桥或一个-N=CH-CH=CH-桥；X2是C-X6或氮；X1、X3和X6独立地是氢、卤素或三卤甲基，其中至少两个X1、X3和X6不是氢；X4是三氟甲基、二氟甲基或氯二氟甲基，或其盐或N-氧化物。本发明还提供了用于制备式I化合物的中间体，以及使用式I化合物控制昆虫、螨虫、线虫或软体动物的方法。
• [EN] NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS<br/>[FR] COMPOSÉS D'ISOXAZOLINE NAPHTALÈNE DESTINÉS À LA LUTTE CONTRE LES NUISIBLES INVERTÉBRÉS
  申请人：FMC CORP

  公开号：WO2019156903A1

  公开（公告）日：2019-08-15

  Disclosed are compounds of Formula 1, wherein J is and R1a, R1b, R2, R3, R4, R5, R6, R7, R8, R14, R15, R16, Q and X are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  公开了Formula 1的化合物，其中J是和R1a、R1b、R2、R3、R4、R5、R6、R7、R8、R14、R15、R16、Q和X的定义如披露中所述。还公开了含有Formula 1的化合物的组合物，以及用于控制无脊椎动物害虫的方法，包括将无脊椎动物害虫或其环境与本发明的化合物或组合物的生物有效量接触。
• [EN] PROCESS FOR PREPARATION OF TETRAHYDROTHIOPHENE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE TÉTRAHYDROTHIOPHÈNE
  申请人：BASF SE

  公开号：WO2018082962A1

  公开（公告）日：2018-05-11

  Process for preparation of tetrahydrothiophene derivatives The present invention relates to a process for preparation of tetrahydrothiophene derivatives of formula I, (I) wherein the variables have the meanings as defined in the specification, by reacting an α,β- unsaturated compound of formula II, (II) with a thioglycolate of formula III, (III) in the presence of a catalyst.

  制备四氢噻吩衍生物的过程。本发明涉及一种制备式I的四氢噻吩衍生物的方法，其中变量的含义如规范中所定义，通过在催化剂的存在下将式II的α，β-不饱和化合物与式III的硫代乙酸盐反应。