methyl 2-chloro-2-phenylpropanoate | 51117-41-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-chloro-2-phenylpropanoate
• 英文别名: methyl 2-chloro-2-phenylpropionate；Methyl 2-chloro-2-phenyl-propanoate
• CAS: 51117-41-0；116915-83-4
• 化学式: C₁₀H₁₁ClO₂
• 分子量: 198.649
• InChiKey: FZHDNGWTPTWSTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三甲基氯硅烷 、 methyl 2-chloro-2-phenylpropanoate 在 sodium 作用下， 反应 40.0h， 以62%的产率得到1-methoxy-1-trimethylsiloxy-2-phenylpropene
  参考文献：
  名称：

  Schulz, William J.; Speier, John L., Synthesis, 1989, # 3, p. 163 - 166

  摘要：

  DOI：
• 作为产物：
  描述：

  Alpha-甲基苯乙酸甲酯 在 lithium diisopropyl amide 、 2-chloro-2-fluoro-2-phenylacetonitrile 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 以74%的产率得到methyl 2-chloro-2-phenylpropanoate
  参考文献：
  名称：

  Metalated Nitrile and Enolate Chlorinations

  摘要：

  Metalated nitriles and enolates rapidly and efficiently abstract chlorine from 2-chloro-2-fluoro-2-phenylacetonitrile to afford a diverse range of chloronitriles and chloroesters. The method provides the first general anionic chlorination of alkylnitriles, tolerates numerous functional groups, and addresses the challenge of synthesizing alpha-chloronitriles under mild conditions.

  DOI：

  10.1021/ol100897y

文献信息

• Process for producing acrylic acid derivative
  申请人：Nippon Soda Co. Ltd

  公开号：US20040152894A1

  公开（公告）日：2004-08-05

  Processes for producing a compound represented by the formula (1), which includes an acrylic acid derivative and is useful as an agricultural chemical or medicine. One of the processes comprises the step of formulating a compound (3) and converting the OH of the resultant compound (2) into OR″. The first step comprises reacting a formic or orthoformic ester in the presence of a Lewis acid and a base. The second step comprises reacting the compound with R″OH or with R″OH and CH(OR″) 3 under acidic conditions or using a phase-transfer catalyst in a two-phase system and regulating the base and the concentration thereof to stereoselectively synthesize the target compound. In another, process, the compound is efficiently produced without isolating the compound. The compound can also be produced without the compound (2). 1

  生产一种由化学式（1）表示的化合物的过程，该化合物包括丙烯酸衍生物，可用作农药或药物。其中一个过程包括将化合物（3）配制并将所得化合物（2）的羟基转化为OR″。第一步包括在Lewis酸和碱的存在下反应甲酸酯或正甲酸酯。第二步包括在酸性条件下将化合物与R″OH或与R″OH和CH(OR″)3反应，或者在两相系统中使用相转移催化剂，并调节碱及其浓度以立体选择性地合成目标化合物。在另一个过程中，该化合物可以在不分离该化合物的情况下高效生产。该化合物也可以在不使用化合物（2）的情况下生产。
• PROCESSES FOR PRODUCING ACRYLIC ACID DERIVATIVE
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1142857A1

  公开（公告）日：2001-10-10

  Processes for producing a compound (1) represented by formula (1), which includes an acrylic acid derivative and is useful as an agricultural chemical or medicine. One of the processes comprises the step of formylating a compound (3) (step (1)) and the step of converting the OH of the resultant compound (2) into OR" (step (2)). The step (1) comprises reacting a formic or orthoformic ester in the presence of a Lewis acid and a base. The step (2) comprises [1] reacting the compound (2) with R" OH or with R" OH and CH(OR")3 under acidic conditions or [2] using a phase-transfer catalyst in a two-phase system and regulating the base and the concentration thereof to stereoselectively synthesize the target compound. In another process, the compound (1) is efficiently produced without isolating the compound (2). In still another process, the compound (1) is directly produced without via the compound (2).

  生产由式（1）表示的化合物（1）的工艺，该化合物包括丙烯酸衍生物，可用作农用化学品或药物。其中一种工艺包括将化合物（3）甲酰化的步骤（步骤(1)）和将所得化合物（2）的 OH 转化为 OR 的步骤（步骤(2)）。步骤（1）包括在路易斯酸和碱存在下使甲酸酯或原甲酸酯发生反应。步骤（2）包括[1] 在酸性条件下，使化合物（2）与 R" OH 或与 R" OH 和 CH(OR")3 反应，或[2] 在两相体系中使用相转移催化剂，调节碱及其浓度，立体选择性地合成目标化合物。在另一种工艺中，无需分离化合物（2）即可高效生产化合物（1）。在另一种工艺中，不通过化合物（2）直接生产化合物（1）。
• Polymer production method and radical polymerization initiating group-containing compound
  申请人：DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD.

  公开号：US10982033B2

  公开（公告）日：2021-04-20

  The present invention provides: a novel production technique that enables production of a polymer whose molecular weight and molecular weight distribution are controlled and production of a polymer having a complicated structure in a desirably controlled manner using commercially available materials without using a radical polymerization initiator or a special material for use in living radical polymerization and without the need for strict polymerization conditions; and a radical polymerization initiating group-containing compound for use in the technique. The present invention relates to: a method for producing a polymer, the method including a polymerization step of mixing and warming (1) a radically polymerizable monomer, (2) an organic compound wherein at least one group that functions as a group for initiating polymerization of the monomer and that has a structure represented by formula 1 or formula 2 (X in the formula represents Cl or Br) is introduced in a molecule of the organic compound, and (3) an iodine-containing compound, thereby initiating, from the group having the structure, radical polymerization accompanied by a termination reaction; and the organic compound of (2) for use in the method.

  本发明提供了：一种新型生产技术，该技术可使用市售材料，无需使用自由基聚合引发剂或用于活自由基聚合的特殊材料，也无需严格的聚合条件，即可生产出分子量和分子量分布可控的聚合物，并以理想的可控方式生产出具有复杂结构的聚合物；以及一种用于该技术的含自由基聚合引发基团的化合物。本发明涉及一种生产聚合物的方法，该方法包括以下聚合步骤：将(1)可自由基聚合的单体；(2)有机化合物，其中在有机化合物分子中引入至少一个可作为单体聚合引发基团的基团，该基团具有式 1 或式 2 所代表的结构（式中的 X 代表 Cl 或 Br）；(3)含碘化合物，从而从具有该结构的基团引发伴随终止反应的自由基聚合；以及 (2) 中的有机化合物用于该方法。
• Love,C.J.; McQuillin,F.J., Journal of the Chemical Society. Perkin transactions I, 1973, p. 2509 - 2512
  作者：Love,C.J.、McQuillin,F.J.

  DOI：——

  日期：——
• Famoxadone: the discovery and optimisation of a new agricultural fungicide
  作者：Jeffrey A Sternberg、Detlef Geffken、John B Adams、Reiner P�stages、Charlene G Sternberg、Carlton L Campbell、William K Moberg

  DOI：10.1002/1526-4998(200102)57:2<143::aid-ps282>3.0.co;2-8

  日期：2001.2

  Famoxadone (3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione), is a new agricultural fungicide recently commercialized by DuPont under the trade name Famoxate(R) Famoxadone is a member of a new class of oxazolidinone fungicides that demonstrate excellent control of plant pathogens in the Ascomycete, Basidiomycete, and Oomycete classes that infect grapes, cereals, tomatoes, potatoes and other crops. DuPont's entry into the oxazolidinone area resulted from the procurement of 5-methyl-5-phenyl-3-phenylamino-2-thioxo-4-oxazolidinone (1) from Professor Detlef Geffken, then at the University of Bonn, An extensive analog program was initiated immediately after the fungicidal activity of 1 was discovered through routine greenhouse testing. The discovery program in the oxazolidinone area eventually culminated in the advancement of famoxadone to commercial development in the early 1990s. The synthesis of various oxazolidinone ring systems and the development of the structure-activity relationships that led to the discovery of famoxadone are described. (C) 2001 Society of Chemical Industry.