methyl 2-dimethylamino-2-propenoate | 128009-00-7

• 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: methyl 2-dimethylamino-2-propenoate
• 英文别名: Methyl 2-(dimethylamino)prop-2-enoate
• CAS: 128009-00-7
• 化学式: C₆H₁₁NO₂
• mdl: MFCD02094585
• 分子量: 129.159
• InChiKey: SOTYGGXREPPRCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  174.0±23.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基戊酰氯 、 methyl 2-dimethylamino-2-propenoate 在 三乙胺 作用下， 以 乙醚 为溶剂， 以70%的产率得到dimethyl 2-dimethylamino-4-oxo-2-pentenedioate
  参考文献：
  名称：

  Esters of 2-Dialkylamino-2-propenoic Aids

  摘要：

  在三氯化砷存在下，丙酮酸甲酯或叔丁酯与二甲胺、哌啶或吗啉反应，可得到代表δ,δ²-二脱氢丙氨酸衍生物和丙酮酸活性等价物的标题化合物（2a-d）。以 2,4-二氧戊二酸二甲酯的合成为例，说明了这些化合物的多功能反应性。

  DOI：

  10.1055/s-1990-26781
• 作为产物：
  描述：

  丙酮酸甲酯 、 二甲胺 在 三氯化砷 作用下， 以 乙醚 为溶剂， 以82%的产率得到methyl 2-dimethylamino-2-propenoate
  参考文献：
  名称：

  Esters of 2-Dialkylamino-2-propenoic Aids

  摘要：

  在三氯化砷存在下，丙酮酸甲酯或叔丁酯与二甲胺、哌啶或吗啉反应，可得到代表δ,δ²-二脱氢丙氨酸衍生物和丙酮酸活性等价物的标题化合物（2a-d）。以 2,4-二氧戊二酸二甲酯的合成为例，说明了这些化合物的多功能反应性。

  DOI：

  10.1055/s-1990-26781

文献信息

• ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION
  申请人：ASAHI GLASS COMPANY, LIMITED

  公开号：US20170050934A1

  公开（公告）日：2017-02-23

  To provide a pyrimidine derivative having a fluorinated substituent group, that can be applied to an agricultural chemical or pharmaceutical having excellent pharmacological activities, and a method for producing said derivative. A compound represented by the following formula (A). R f is a group having an etheric (ethereal) oxygen atom inserted between carbon-carbon atoms in a C 2-19 perfluoroalkyl group, wherein the total of the number of carbon atoms and the number of oxygen atoms is from 3 to 20. R 1 is a C 1-6 alkyl group, etc. Q 1 is R 2 C(O)—, R 3 OC(O)—, a carboxy group, R 4 OC(O)NH—, an amino group, or R 5 C(O)NH—(R 2 to R 5 are each independently a C 1-6 alkyl group, etc.).

  提供一种具有氟代取代基的嘧啶衍生物，可应用于具有优异药理活性的农药或药物，并提供一种制备该衍生物的方法。以下是表示的化合物（A）的公式。Rf是一个在C2-19全氟烷基中的碳-碳原子之间插入了醚氧原子的基团，其中碳原子数和氧原子数的总和为3到20。R1是C1-6烷基基团等。Q1是R2C(O)—，R3OC(O)—，一个羧基，R4OC(O)NH—，一个氨基，或R5C(O)NH—（R2到R5分别是独立的C1-6烷基基团等）。
• ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE RING COMPOUND AND METHOD FOR ITS PRODUCTION
  申请人：ASAHI GLASS COMPANY, LIMITED

  公开号：US20160295864A1

  公开（公告）日：2016-10-13

  To provide a pyrazole derivative having a superior fluorinated substituent, which is useful for pharmaceutical products or agricultural chemicals having pharmacological activities, and a method for its production. A compound represented by the following formula (A), wherein R f is a C 2-19 perfluoroalkyl group having ethereal oxygen atom(s) inserted between carbon-carbon atoms of the group, and the total number of carbon atoms and oxygen atoms in R f being from 3 to 20, one of Q 1 and Q 2 is a hydrogen atom, and the other is a phenyl group, or a phenyl group in which at least one hydrogen atom in the phenyl group is each independently substituted by a halogen atom, and one of A 1 and A 2 is a nitrogen atom, and the other is a nitrogen atom to which R 1 is bonded.

  提供一种具有优越氟代取代基的吡唑衍生物，适用于具有药理活性的制药产品或农用化学品，并提供其生产方法。所述化合物由以下式（A）表示，其中Rf是具有乙醚氧原子插入其碳-碳原子之间的C2-19全氟烷基基团，Rf中的碳原子和氧原子的总数为3至20，Q1和Q2中的一个是氢原子，另一个是苯基，或者至少一个苯基中的氢原子各自独立地被卤素原子取代，A1和A2中的一个是氮原子，另一个是与R1键合的氮原子。
• ETHEREAL OXYGEN-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE COMPOUND AND PRODUCTION METHOD THEREFOR
  申请人：Asahi Glass Company, Limited

  公开号：EP3093284A1

  公开（公告）日：2016-11-16

  To provide a pyrazole derivative having a superior fluorinated substituent, which is useful for pharmaceutical products or agricultural chemicals having pharmacological activities, and a method for its production. A compound represented by the hollowing formula (A), wherein Rf is a C2-19 perfluoroalkyl group having ethereal oxygen atom(s) inserted between carbon-carbon atoms of the group, and the total number of carbon atoms and oxygen atoms in Rf being from 3 to 20, one of Q1 and Q2 is a hydrogen atom, and the other is a phenyl group, or a phenyl group in which at least one hydrogen atom in the phenyl group is each independently substituted by a halogen atom, and one of A1 and A2 is a nitrogen atom, and the other is a nitrogen atom to which R1 is bonded.

  提供一种具有优良氟化取代基的吡唑衍生物，该衍生物可用于具有药理活性的医药产品或农药，并提供其生产方法。一种由空心式（A）表示的化合物，其中 Rf 是 C2-19 全氟烷基，该基团的碳-碳原子之间插入有乙氧基，Rf 中碳原子和氧原子的总数为 3 至 20、Q1和Q2中的一个是氢原子，另一个是苯基，或苯基中至少有一个氢原子各自独立地被卤素原子取代的苯基，A1和A2中的一个是氮原子，另一个是R1键合的氮原子。
• ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR PRODUCING SAME
  申请人：Asahi Glass Company, Limited

  公开号：EP3144297A1

  公开（公告）日：2017-03-22

  To provide a pyrimidine derivative having a fluorinated substituent group, that can be applied to an agricultural chemical or pharmaceutical having excellent pharmacological activities, and a method for producing said derivative. A compound represented by the following formula (A). Rf is a group having an etheric (ethereal) oxygen atom inserted between carbon-carbon atoms in a C2-19 perfluoroalkyl group, wherein the total of the number of carbon atoms and the number of oxygen atoms is from 3 to 20. R1 is a C1-6 alkyl group, etc. Q1 is R2C(O)-, R3OC(O)-, a carboxy group, R4OC(O)NH-, an amino group, or R5C(O)NH- (R2 to R5 are each independently a C1-6 alkyl group, etc.).

  提供一种具有氟化取代基团的嘧啶衍生物，该衍生物可应用于具有优异药理活性的农用化学品或药品，并提供一种生产上述衍生物的方法。由下式（A）代表的化合物。Rf 是在 C2-19 全氟烷基的碳-碳原子之间插入一个乙醚（etheral）氧原子的基团，其中碳原子数和氧原子数的总和为 3 至 20。R1 是 C1-6 烷基等。Q1 是 R2C(O)-、R3OC(O)-、羧基、R4OC(O)NH-、氨基或 R5C(O)NH-（R2 至 R5 各自独立地为 C1-6 烷基等）。
• Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters
  申请人：Lantzsch Reinhard

  公开号：US20060252944A1

  公开（公告）日：2006-11-09

  The present invention relates to a process for preparing 2-dihaloacyl-3-aminoacrylic esters of the formula (I) characterized in that acid halides of the formula (II) are reacted with dialkylaminoacrylic esters of the formula (III) in which R, R 1 , R 2 , X 1 , X 2 and Hal are each as defined in the description in a water-immiscible organic solvent in the presence of a base, to the novel 2-dihaloacyl-3-aminoacrylic esters of the formula (I) themselves, to their use for preparing 3-dihalomethylpyrazoles, to a process for preparing 3-dihalomethylpyrazoles, and also to novel 3-dihalomethylpyrazoles.