n-butyl 2-nitroacetate | 73604-92-9

• 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: n-butyl 2-nitroacetate
• 英文别名: Nitro-essigsaeurebutylester；Nitroacetoxybutane；butyl 2-nitroacetate
• CAS: 73604-92-9
• 化学式: C₆H₁₁NO₄
• 分子量: 161.158
• InChiKey: AHHYUUDVSVQCQR-UHFFFAOYSA-N

物化性质

• 沸点：
  218.6±13.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Chloronitroacetic acid butyl ester 在 sodium dithionite 作用下， 以 乙醇 、 水 为溶剂， 生成 n-butyl 2-nitroacetate
  参考文献：
  名称：

  Reduction of chloro-and bromonitroacetate esters

  摘要：

  DOI：

  10.1007/bf00956377

文献信息

• Transesterification of Methyl 2-Nitroacetate to Superior Esters
  作者：Massimo Corsi、Stefano Magnolfi、Fabrizio Machetti

  DOI：10.1002/ejoc.202000050

  日期：2020.3.22

  Methyl 2‐nitroacetate (MNA) is not as good as methyl acetoacetate (MAA) in giving transesterification reactions with alcohols. While MAA is capable of thermal transesterification without catalyst, MNA gives superior nitroacetates only with the use of a catalyst. Decomposition of MNA into CO2, CH3OH, and CH3NO2 should be prevented.

  2-硝基乙酸甲酯（MNA）在与醇进行酯交换反应方面不如乙酰乙酸甲酯（MAA）好。尽管MAA能够在没有催化剂的情况下进行热酯交换，但MNA仅在使用催化剂的情况下才能提供优异的硝基乙酸酯。应防止MNA分解为CO 2，CH 3 OH和CH 3 NO 2。
• ALPHA-SUBSTITUTED ACRYLATE ESTERS, COMPOSITION CONTAINING THEREOF, AND METHOD FOR PRODUCING THOSE
  申请人：Kawamoto Takahiro

  公开号：US20130072712A1

  公开（公告）日：2013-03-21

  A method for producing α-substituted acrylate esters is provided which can be suitably used as an industrial method for producing α-substituted acrylate esters because the method does not have problems of apparatus corrosion or does not require waste detoxification and allows reaction in a short time with high yield. The method for producing an α-substituted acrylate ester includes a step of carrying out a reaction of a compound having a specific structure and an active hydrogen-containing compound under a condition where a tertiary amine and an acid and/or a salt thereof coexist.

  提供了一种生产α-取代丙烯酸酯的方法，该方法可适当用作工业生产α-取代丙烯酸酯的方法，因为该方法不存在设备腐蚀问题或不需要废物解毒，并允许在短时间内高产率反应。生产α-取代丙烯酸酯的方法包括在三级胺和酸和/或其盐共存的条件下，进行具有特定结构和含有活性氢的化合物的反应的步骤。
• Method for producing allyl compound, and allyl compound produced thereby
  申请人：Takai Masaki

  公开号：US20050075518A1

  公开（公告）日：2005-04-07

  A method for producing an allyl compound having a compositional formula different from that of an allyl starting material compound, which comprises reacting the allyl starting material compound with a nucleophilic agent in the presence of a catalyst containing at least one transitional metal compound containing a transition metal selected from the group consisting of transition metals belonging to Group 8 to Group 10 of the Periodic Table and at least one bidentate coordinated phosphite compound selected from the group consisting of compounds having structures of the following formulae (I) to (III): wherein A 1 to A 3 are respectively independently a diarylene group having a branched alkyl group at the ortho-position, R 1 to R 6 are respectively independently an alkyl group which may have a substituent or an aryl group which may have a substituent (including a heterocyclic compound forming an aromatic 6π electron cloud on the upper and lower sides of the ring, hereinafter the same), and Z 1 to Z 3 are respectively independently an alkylene group which may have a substituent, an arylene group which may have a substituent, an alkylene-arylene group which may have a substituent or a diarylene group which may have a substituent.

  一种制备具有不同于烯丙基起始材料化合物的组成式的烯丙基化合物的方法，包括在催化剂的存在下，将烯丙基起始材料化合物与亲核试剂反应，所述催化剂包含至少一种过渡金属化合物，所述过渡金属选自周期表8到10组的过渡金属，并且至少一种双齿配位膦酸酯化合物，所述化合物具有以下式(I)到(III)中的结构，其中A1到A3分别独立地是具有支链烷基的二芳基基团，R1到R6分别独立地是可以具有取代基的烷基基团或可以具有取代基的芳基基团（包括在环上形成芳香6π电子云的杂环化合物，在此以后相同），Z1到Z3分别独立地是可以具有取代基的烷基，可以具有取代基的芳基，可以具有取代基的烷基-芳基基团或可以具有取代基的二芳基基团。
• ALPHA-SUBSTITUTED ACRYLATE ESTERS, COMPOSITION CONTAINING SAME, AND METHOD FOR PRODUCING THE -SUBSTITUTED ACRYLATE ESTERS
  申请人：Nippon Shokubai Co., Ltd.

  公开号：EP2578565A1

  公开（公告）日：2013-04-10

  A method for producing α-substituted acrylate esters is provided which can be suitably used as an industrial method for producing α-substituted acrylate esters because the method does not have problems of apparatus corrosion or does not require waste detoxification and allows reaction in a short time with high yield. The method for producing an α-substituted acrylate ester includes a step of carrying out a reaction of a compound having a specific structure and an active hydrogen-containing compound under a condition where a tertiary amine and an acid and/or a salt thereof coexist.

  本发明提供了一种生产α-取代的丙烯酸酯的方法，由于该方法不存在装置腐蚀问题或不需要废料净化，并且可以在短时间内以高产率进行反应，因此可以适当地用作生产α-取代的丙烯酸酯的工业方法。生产α-取代的丙烯酸酯的方法包括以下步骤：在叔胺和酸和/或其盐共存的条件下，使具有特定结构的化合物和含氢活性化合物发生反应。
• US4129554A
  申请人：——

  公开号：US4129554A

  公开（公告）日：1978-12-12