2-((4-氯苯氧基)甲基)-2-甲基丙二酸 | 141921-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-((4-氯苯氧基)甲基)-2-甲基丙二酸
• 英文名称: 2-[(4-Chlorophenoxy)methyl]-2-methylpropanedioic acid
• 英文别名: 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioic acid
• CAS: 141921-07-5
• 化学式: C₁₁H₁₁ClO₅
• 分子量: 258.658
• InChiKey: YKFWFQMRRUEJTE-UHFFFAOYSA-N

物化性质

• 沸点：
  383.2±32.0 °C(Predicted)
• 密度：
  1.431±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-((4-氯苯氧基)甲基)-2-甲基丙二酸 在 sodium hydroxide 、 硫酸 作用下， 反应 9.75h， 生成 R-(-)-2-methyl-3-(4-chloro-phenoxy)-propionic acid
  参考文献：
  名称：

  Enantioselective preparation of 2-alkyl-3-aryloxypropionic acids and esters and 3-alkyl-4-chromanones

  摘要：

  Lipases provided access to chiral 2-alkyl-3-aryloxypropionic acids that gave chiral 3-alkyl-4-chromanones with high enantioselectivity.

  DOI：

  10.1016/0040-4039(92)88162-x
• 作为产物：
  描述：

  2-(4-Chloro-phenoxymethyl)-2-methyl-malonic acid diethyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以85%的产率得到2-((4-氯苯氧基)甲基)-2-甲基丙二酸
  参考文献：
  名称：

  Enantioselective preparation of 2-alkyl-3-aryloxypropionic acids and esters and 3-alkyl-4-chromanones

  摘要：

  Lipases provided access to chiral 2-alkyl-3-aryloxypropionic acids that gave chiral 3-alkyl-4-chromanones with high enantioselectivity.

  DOI：

  10.1016/0040-4039(92)88162-x

文献信息

• N-sulfonyl-alpha-amino-acid derivatives
  申请人：Muller Urs

  公开号：US20070155748A1

  公开（公告）日：2007-07-05

  The invention relates to N-sulfonyl-α-amino-acetic acid derivatives of the general formula (I): including the optical isomers thereof and mixtures of such isomers, wherein Ar 1 and Ar 2 independently of each other stand for an optionally substituted aryl or heteroaryl group, R 1 and R 2 stand independently of each other for hydrogen, optionally substituted C 1 -C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C- 2 C 5 alkynyl or optionally substituted C 3 C 6 Cycloalkyl; R 3 designates hydrogen, C- 3 C 5 alkenyl, C 3 -C 5 alkynyl or optionally substituted C 1 -C 5 alkyl; R 4 is optionally substituted C 1 -C 5 alkyl, optionally substituted C- 2 C 5 alkenyl, C- 2 C 5 aklynyl or optionally substituted C- 3 C 6 cycloalkyl; R 5 and R 6 are independently of each other hydrogen or optionally substituted C 1 -C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C- 2 C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 7 and R 8 are independently of each other hydrogen or optionally substituted C 1 -C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; W designates a bridge selected from —O—, —S—, —SO—, —SO 2 — or is an —NH— or —N(C 1 -C 5 alkyl)-bridge; X designates a direct bond or a bridge selected from —O—, —S—, —SO—, —SO 2 — or is an —NH or —N(C 1 C 5 alkyl)-bridge; Y designates —OR 9 or NR 10 R 11 ; a and b independently of each other stand for a number 1, 2 or 3; and c stands for a number zero, 1 or 2; with R 9 ,R 10 and R 11 being defined according to the claims. These compounds possess useful plant protecting properties and may advantageously be employed in agricultural practice for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一般式（I）的N-磺酰基-α-氨基酸衍生物，包括其光学异构体和混合物，其中Ar1和Ar2分别独立地代表可选取代的芳基或杂环芳基，R1和R2独立地代表氢、可选取代的C1-C5烷基、可选取代的C2-C5烯基、C-2C5炔基或可选取代的C3C6环烷基；R3代表氢、C-3C5烯基、C3-C5炔基或可选取代的C1-C5烷基；R4是可选取代的C1-C5烷基、可选取代的C-2C5烯基、C-2C5炔基或可选取代的C3-C6环烷基；R5和R6独立地代表氢或可选取代的C1-C5烷基、可选取代的C2-C5烯基、C-2C5炔基或可选取代的C3-C6环烷基；R7和R8独立地代表氢或可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；W代表从—O—、—S—、—SO—、—SO2—中选择的桥或是—NH—或—N(C1-C5烷基)-桥；X代表直接键或从—O—、—S—、—SO—、—SO2—中选择的桥或是—NH或—N(C1C5烷基)-桥；Y代表—OR9或NR10R11；a和b独立地代表数字1、2或3；c代表数字0、1或2；其中R9、R10和R11根据权利要求所定义。这些化合物具有有用的植物保护性能，可以优势地在农业实践中用于控制或预防植物被植物病原微生物，特别是真菌的侵染。
• N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1660441A2

  公开（公告）日：2006-05-31
• US7884103B2
  申请人：——

  公开号：US7884103B2

  公开（公告）日：2011-02-08
• [EN] N-SULFONYL-alpha-AMINO-ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE N-SULFONYL-ALPHA-AMINO
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2005021490A2

  公开（公告）日：2005-03-10

  The invention relates to N-sulfonyl-α-amino-acetic acid derivatives of the general formula (I): including the optical isomers thereof and mixtures of such isomers, wherein Ar1 and Ar2 independently of each other stand for an optionally substituted aryl or heteroaryl group, R1 and R2 stand independently of each other for hydrogen, optionally substituted C1-C5alkyl, optionally substituted C2-C5alkenyl, C-2C5alkynyl or optionally substituted C3­C6Cycloalkyl; R3 designates hydrogen, C-3C5alkenyl, C3-C5 alkynyl or optionally substituted C-1C5alkyl; R4 is optionally substituted C1-C5alkyl, optionally substituted C-2C5alkenyl, C-2C5alkynyl or optionally substituted C-3C6 cycloalkyl; R5 and R6 are independently of each other hydrogen or optionally substituted C1-C5alkyl, optionally substituted C2-C5alkenyl, C-2C5alkynyl or optionally substituted C3-C6cycloalkyl; R7 and R8 are independently of each other hydrogen or optionally substituted C1-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; W designates a bridge selected from -O-, -S-, -SO-, -SO2- or is an -NH- or -N(C1-C5alkyl)- bridge; X designates a direct bond or a bridge selected from -O-, -S-, -SO-, -SO2- or is an -NHor -N(C1­C5alkyl)- bridge; Y designates -OR9 or NR10R11; a and b independently of each other stand for a number 1, 2 or 3; and c stands for a number zero, 1 or 2; with R9,R10 and R11 being defined according to the claims. These compounds possess useful plant protecting properties and may advantageously be employed in agricultural practice for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.