alpha-乙酰基苯乙酸 | 4433-88-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: alpha-乙酰基苯乙酸
• 中文别名: Α-乙酰基苯乙酸；乙酰基苯乙酸
• 英文名称: 2-phenylacetoacetic acid
• 英文别名: 2-Phenyl-acetessigsaeure；β-Oxo-α-phenyl-buttersaeure；α-Phenyl-acetessigsaeure；2-Oxo-1-phenyl-propan-carbonsaeure-(1)；3-Oxo-2-phenylbutanoic acid
• CAS: 4433-88-9
• 化学式: C₁₀H₁₀O₃
• 分子量: 178.188
• InChiKey: LDXZZEGPQASJSK-UHFFFAOYSA-N

物化性质

• 熔点：
  98℃ (benzene ligroine )
• 沸点：
  303.2±30.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  alpha-乙酰基苯乙酸 、 丙酮 在 硫酸 、 乙酸酐 作用下， 以89%的产率得到5-phenyl-2,2,6-trimethyl-2h,4h-1,3-dioxin-4-one
  参考文献：
  名称：

  Sato, Masayuki; Ogasawara, Hiromichi; Oi, Keiichi, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 6, p. 1896 - 1901

  摘要：

  DOI：
• 作为产物：
  描述：

  2-苯基乙酰乙酸乙酯 在 硫酸 作用下， 生成 alpha-乙酰基苯乙酸
  参考文献：
  名称：

  Attwood; Stevenson; Thorpe, Journal of the Chemical Society, 1923, vol. 123, p. 1755 - 1766

  摘要：

  DOI：

文献信息

• [EN] PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION<br/>[FR] PROCEDE DE PRODUCTION DE COMPOSES AROMATIQUES PAR REACTION DE FRIEDEL-CRAFTS
  申请人：SHOWA DENKO KK

  公开号：WO2003101925A1

  公开（公告）日：2003-12-11

  There is provided a process for producing an aromatic compound by Friedel-Crafts reaction product, which comprises reacting an aromatic compound with an ester compound in the presence of a heteropolyacid-containing solid acid catalyst.

  提供一种通过Friedel-Crafts反应产生芳香化合物的方法，包括在含有杂多酸的固体酸催化剂的存在下，将芳香化合物与酯化合物反应。
• 6-(2-Chloro-4-alkoxyphenyl)triazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds
  申请人：Tormo i Blasco Jordi

  公开号：US20070149400A1

  公开（公告）日：2007-06-28

  Substituted triazolopyrimidines of the formula I in which the substituents are as defined below: L is hydrogen, chlorine or bromine; R 1 , R 2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, cycloalkenyl, halocycloalkenyl, alkynyl, haloalkynyl or phenyl, naphthyl or a five- or six-membered saturated, partially unsaturated or aromatic heterocycle which contains one to four heteroatoms from the group consisting of O, N and S, R 1 and R 2 together with the nitrogen atom to which they are attached may also form a five- or six-membered heterocyclyl or heteroaryl which is attached via N and may contain a further heteroatom from the group consisting of O, N and S as ring member and/or may be substituted as defined in the description; R 3 is alkyl, haloalkyl, alkenyl, haloalkenyl, alkynyl, haloalkynyl, cycloalkyl, halocycloalkyl or phenylalkyl; R 1 , R 2 and/or R 3 may be substituted as defined in the description; X is halogen, cyano, alkyl, haloalkyl, alkoxy or haloalkoxy; processes and intermediates for preparing these compounds, compositions comprising them and their use for controlling phytopathogenic harmful fungi.

  公式I中的取代三唑嘧啶，其中取代基如下所定义：L是氢、氯或溴；R1，R2是氢、烷基、卤代烷基、环烷基、卤代环烷基、烯基、卤代烯基、环烯基、卤代环烯基、炔基、卤代炔基或苯基、萘基或含有1-4个O、N和S的杂环，其中R1和R2连同它们所连接的氮原子也可以形成通过N连接的五元或六元杂环或杂芳基，并且可以作为环成员含有来自O、N和S的进一步杂原子和/或如描述中所定义的取代基；R3是烷基、卤代烷基、烯基、卤代烯基、炔基、卤代炔基、环烷基、卤代环烷基或苯基烷基；R1、R2和/或R3可以如描述中所定义地被取代；X是卤素、氰基、烷基、卤代烷基、烷氧基或卤代烷氧基；用于制备这些化合物的过程和中间体，包含它们的组合物以及用于控制植物病原真菌的使用。
• Process for producing aromatic compounds by friedel-crafts reaction
  申请人：Okuhara Toshio

  公开号：US20050222457A1

  公开（公告）日：2005-10-06

  There is provided a process for producing an aromatic compound by Friedel-Crafts reaction product, which comprises reacting an aromatic compound with an ester compound in the presence of a heteropolyacid-containing solid acid catalyst.

  提供一种通过Friedel-Crafts反应产生芳香族化合物的方法，其包括在含有杂多酸的固体酸催化剂的存在下，将芳香族化合物与酯化合物反应。
• 6-(Aminocarbonyl-phenyl)triazolopyrimidines, methods for the production thereof, use thereof for controlling harmful fungi, and substances containing the same
  申请人：Blasco Tormo i Jordi

  公开号：US20070111889A1

  公开（公告）日：2007-05-17

  Triazolopyrimidines of the formula I in which the substituents are as defined below: R 1 , R 2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, cycloalkenyl, halocycloalkenyl, alkynyl, haloalkynyl or phenyl, naphthyl or a five- or six-membered saturated, partially unsaturated or aromatic heterocycle which contains one to four heteroatoms from the group consisting of O, N and S, R 1 and R 2 together with the nitrogen atom to which they are attached may also form a five- or six-membered heterocyclyl or heteroaryl which is attached via N and may contain a further heteroatom from the group consisting of O, N and S as ring member and may be substituted as defined in the description; L is halogen, cyano, alkyl, haloalkyl, alkoxy, alkenyloxy or alkoxycarbonyl; m is 1, 2, 3 or 4, where the groups L may be different if m is greater than 1; X is halogen, cyano, alkyl, haloalkyl, alkoxy or haloalkoxy; Processes and intermediates for preparing these compounds, compositions comprising them and their use for controlling phytopathogenic harmful fungi

  式I中，取代基的定义如下：R1、R2为氢、烷基、卤代烷基、环烷基、卤代环烷基、烯基、卤代烯基、环烯基、卤代环烯基、炔基、卤代炔基或苯基、萘基或含有1至4个来自O、N和S的杂原子的五元或六元饱和、部分不饱和或芳香族杂环。R1和R2连同它们所连接的氮原子也可以形成一个经由N连接的五元或六元杂环基或杂芳基，该杂环基或杂芳基可以作为环成员含有来自O、N和S的进一步杂原子，并且可以按照描述中的定义进行取代；L为卤素、氰基、烷基、卤代烷基、烷氧基、烯氧基或烷氧羰基；m为1、2、3或4，其中如果m大于1，则基团L可以不同；X为卤素、氰基、烷基、卤代烷基、烷氧基或卤代烷氧基。制备这些化合物的过程和中间体，包含它们的组合物以及它们用于控制植物病原真菌的用途。
• 6(2-Chloro-5-Halophenyl)Triazolopyrimidines, Their Preparation And Their Use For Controlling Harmful Fungi, And Compositions Comprising These Compounds
  申请人：Tormo i Blasco Jordi

  公开号：US20080227795A1

  公开（公告）日：2008-09-18

  The invention relates to substituted triazolopyrimidines of formula (I), with the substituents as follows: R 1 , R 2 =H, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, cycloalkenyl, halocycloalkenyl, alkinyl, haloalkinyl, phenyl, naphthyl, or a five- or six-membered saturated, partially unsaturated or aromatic heterocycle, comprising one to four heteroatoms of the group O, N or S, R 1 and R 2 can, together with the nitrogen atom to which it is attached, form a five- or six-membered heterocycle or heteroaryl, bonded via N and containing one to three further heteroatoms from the group O, N and S as ring members, substituted as per the description, L 1 =fluorine, chlorine or bromine, L 2 =H, alkyl or alkoxy and X=halogen, cyano, alkyl, haloalkyl, alkoxy or haloalkoxy. The invention further relates to methods and intermediates for production of said compounds, agents comprising the same and use thereof for controlling fungal pests harmful to plants.

  本发明涉及公式（I）的取代三唑嘧啶，其取代基如下：R1，R2 = H，烷基，卤代烷基，环烷基，卤代环烷基，烯基，卤代烯基，环烯基，卤代环烯基，炔基，卤代炔基，苯基，萘基或含有1-4个O、N或S杂原子的五元或六元饱和、部分不饱和或芳香族杂环，R1和R2可以与其连接的氮原子一起形成一个五元或六元杂环或杂芳基，通过N相连，含有1-3个来自O、N和S的杂原子作为环成员，根据描述进行取代，L1 = 氟、氯或溴，L2 = H、烷基或烷氧基，X = 卤素、氰基、烷基、卤代烷基、烷氧基或卤代烷氧基。本发明还涉及用于制备所述化合物的方法和中间体，包含它们的制剂以及用于控制对植物有害的真菌害虫的用途。