1-(3-乙氧基羰基苯基)吡咯 | 83140-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 1-(3-乙氧基羰基苯基)吡咯
• 英文名称: ethyl 3-(pyrrol-1-yl)benzoate
• 英文别名: ethyl 3-(1-pyrrolyl)benzoate；1-(3-Ethoxycarbonylphenyl)pyrrole；ethyl 3-pyrrol-1-ylbenzoate
• CAS: 83140-93-6
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: BOAJVZUYGSTURO-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65℃
• 沸点：
  122℃/0.19mm
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(3-乙氧基羰基苯基)吡咯 以 乙醚 、 水 为溶剂， 生成 [3-(1H-吡咯-1-基)苯基]甲醇
  参考文献：
  名称：

  3-(Pyrrol-1-yl)phenylmethyl esters and intermediates

  摘要：

  3-(吡咯-1-基)苯甲酸酯和具有通用公式##STR1##的中间体，揭示和举例了酯类化合物作为杀虫剂的用途，以及其组合物和制备方法。

  公开号：

  US04339457A1
• 作为产物：
  描述：

  3-氨基苯甲酸乙酯 生成 1-(3-乙氧基羰基苯基)吡咯
  参考文献：
  名称：

  PLUMMER, E. L.;PALMERE, R. M.

  摘要：

  DOI：

文献信息

• Substituted alkylamine derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US05234946A1

  公开（公告）日：1993-08-10

  The substituted alkylamine derivatives represented by formula (I) ##STR1## wherein R.sup.1 represents (a) substituted or unsubstituted C.sub.2-6 alkenyl group, (b) substituted or unsubstituted C.sub.3-6 cycloalkenyl group, (c) substituted or unsubstituted C.sub.2-6 alkynyl group, (d) substituted or unsubstituted aryl group, (e) substituted or unsubstituted heterocyclic group, (f) fused heterocyclic group which may be substituted, or (g) group represented by the formula Ru.sup.11 -Ar wherein R.sup.11 is a heterocyclic group and Ar is a 5- or 6-membered aromatic ring which may contain a hetero N, O or S atom, and which may be substituted; ##STR2## represents a 5- or 6-membered aromatic ring which may contain a hetero N, O or S atom, and may be substituted by R.sup.7, X and Y are linking groups, R.sup.2 is H or lower alkyl, R.sup.3 is hydrogen, lower alkyl, lower alkenyl, lower alkynyl or lower cycloalkyl, R.sup.4 and R.sup.5 are independently hydrogen or halogen atoms, R.sup.6 represents (a) substituted or unsubstituted acyclic hydrocarbon group which may be unsaturated, (b) substituted or unsubstituted cycloalkyl group, or (c) substituted or unsubstituted phenyl group, or non-toxic salts thereof. (E)-N-(6-6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[4-(3-thienyl)-2-thienyl-me thyloxy]benzylamine hydrochloride is a representative example. The substituted alkylamine derivatives are useful as pharmaceuticals, particularly for the treatment and prevention of hypercholesterolemia, hyperlipemia and arteriosclerosis.

  根据您的要求，以下是公式(I)所代表的取代烷基胺衍生物的中文翻译： “式中，R1 代表（a）取代或未取代的C2-6烯基团，（b）取代或未取代的C3-6环烯基团，（c）取代或未取代的C2-6炔基团，（d）取代或未取代的芳基团，（e）取代或未取代的杂环团，（f）可能被取代的融合杂环团，或（g）由公式Ru11-Ar表示的团，其中R11是杂环团，Ar是5或6成员的芳香环，其中可能含有杂N、O或S原子，并且可能被取代；##STR2##代表一个5或6成员的芳香环，其中可能含有杂N、O或S原子，并且可能被R7、X和Y是连接基团，R2是H或低级烷基，R3是氢、低级烷基、低级烯基、低级炔基或低级环烷基，R4和R5是独立的是氢或卤素原子，R6代表（a）可能是不饱和的取代或未取代的链状烃基团，（b）取代或未取代的环烷基团，或（c）取代或未取代的苯基团，或其非毒性的盐。以下是一个代表性的例子：(E)-N-(6-6-二甲基-2-庚烯-4-炔基)-N-乙基-3-[4-(3-噻吩基)-2-噻吩基甲氧基]苄胺盐酸盐。这些取代烷基胺衍生物作为药物很有用，特别适用于治疗和预防高胆固醇血症、高脂血症和动脉粥样硬化。”
• Organic synthesis via magnetic attraction: benign and sustainable protocols using magnetic nanoferrites
  作者：R. B. Nasir Baig、Rajender S. Varma

  DOI：10.1039/c2gc36455g

  日期：——

  Magnetic nano-catalysts have been prepared using simple modification of iron ferrites. The nm size range of these particles facilitates the catalysis process, as an increased surface area is available for the reaction; the easy separation of the catalysts by an external magnet and their recovery and reuse are additional beneficial attributes. Glutathione bearing nano-ferrites have been used as organocatalysts for the Paal–Knorr reaction and homocoupling of boronic acids. Nanoferrites, post-synthetically modified by ligands, were used to immobilize nanometals (Cu, Pd, Ru, etc.) which enabled the development of efficient, sustainable and green procedures for azide–alkynes-cycloaddition (AAC) reactions, C–S coupling, O-allylation of phenol, Heck-type reactions and hydration of nitriles.

  通过简单修饰铁氧体，已制备出磁性纳米催化剂。这些粒子处于纳米尺寸范围，有助于催化过程，因为反应可利用增加的表面积；外部磁铁易于分离催化剂，并可回收和重复使用，这些是额外的有益特性。负载谷胱甘肽的纳米铁氧体已用作有机催化剂，用于PAAl-Knorr反应和硼酸的均偶联。通过配体后合成改性的纳米铁氧体，用于固定纳米金属（铜、钯、钌等），从而实现了高效、可持续和绿色的叠氮-炔烃环加成（AAC）反应、碳-硫偶联、酚的烯丙基化、 Heck型反应和腈的水合反应的方法发展。
• Magnetic nanoparticle-supported glutathione: a conceptually sustainable organocatalyst
  作者：Vivek Polshettiwar、Babita Baruwati、Rajender S. Varma

  DOI：10.1039/b900784a

  日期：——

  A conceptually novel nanoparticle-supported and magnetically recoverable organocatalyst has been developed, which is readily prepared from inexpensive starting materials in a truly sustainable manner; which catalyzes the Paal–Knorr reaction with high yield in pure aqueous medium that avoids the use of toxic organic solvents, even in the workup step.

  开发了一种概念上新颖的纳米粒子支持和可磁性回收的有机催化剂，该催化剂可以通过真正可持续的方式，利用廉价的原材料轻松制备。它在纯水相介质中催化Paal–Knorr反应，具有高产率，避免了使用有毒有机溶剂，甚至在后处理步骤中也不例外。
• One‐Pot Synthesis of Pyrrolo[1,2‐ <i>f</i> ]phenanthridines From 1‐Arylpyrroles <i>via</i> Successive Palladium‐Catalyzed Direct Arylations
  作者：Jian Zhang、Xinzhe Shi、Henri Doucet

  DOI：10.1002/ejoc.202100766

  日期：2021.9.21

  A wide variety of pyrrolo[1,2-f]phenanthridines can be obtained from commercially available compounds using only 2 mol% of easily available Pd(OAc)2 catalyst precursor and KOAc as inexpensive base. With this synthetic scheme, the introduction of desired functional groups at positions 5, 6, 7, 8, 10 and 11 of pyrrolo[1,2-f]phenanthridines is possible.

  多种吡咯并[1,2- f ]菲啶可以从市售化合物中获得，仅使用 2 mol% 容易获得的 Pd(OAc) 2催化剂前体和 KOAc 作为廉价碱。通过该合成方案，可以在吡咯并[1,2- f ]菲啶的5、6、7、8、10和11位引入所需的官能团。
• Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst
  申请人：Varma Rajender S.

  公开号：US20110054180A1

  公开（公告）日：2011-03-03

  This invention relates to the use of nano-organocatalysts, and, more specifically, to the use of magnetic nanomaterial-supported organocatalysts. It is an object of the present invention to provide “green” catalysts and protocols. According to one embodiment of the invention, a nano-organocatalyst in the form of a magnetic nanomaterial-supported organocatalyst is provided. According to other embodiments of the invention, glutathione and cysteine are provided as organocatalysts and magnetic nanomaterial-supported glutathione and magnetic nanomaterial-supported cysteine are provided for use as nano-organocatalysts. According to another embodiment of the invention, a method of using a recyclable magnetic nanomaterial-supported organocatalyst using a totally benign aqueous protocol, without using any organic solvent in the reaction or during the workup, is provided. According to a further embodiment of the invention, a recyclable magnetic nanomaterial-supported organocatalyst for various organocatalytic reactions, including but not limited to Paal-Knorr reactions, aza-Michael addition and pyrazole synthesis, is provided.

  本发明涉及纳米有机催化剂的使用，更具体地涉及磁性纳米材料支撑的有机催化剂的使用。本发明的目的是提供“绿色”催化剂和方案。根据本发明的一个实施例，提供了一种磁性纳米材料支撑的有机催化剂的纳米有机催化剂。根据本发明的其他实施例，提供了谷胱甘肽和半胱氨酸作为有机催化剂，以及用作纳米有机催化剂的磁性纳米材料支撑的谷胱甘肽和磁性纳米材料支撑的半胱氨酸。根据本发明的另一个实施例，提供了一种使用可回收磁性纳米材料支撑的有机催化剂的方法，使用完全良性的水相方案，在反应过程中或处理过程中不使用任何有机溶剂。根据本发明的另一个实施例，提供了一种用于各种有机催化反应的可回收磁性纳米材料支撑的有机催化剂，包括但不限于Paal-Knorr反应、aza-Michael加成和吡唑合成。