4-吗啉丙酸 b-氧代-乙酯 | 37714-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-吗啉丙酸 b-氧代-乙酯
• 中文别名: 4-吗啉丙酸b-氧代-乙酯
• 英文名称: 3-(4-Morpholinyl)-3-oxopropansaeure-ethylester
• 英文别名: ethyl 3-(4-morpholyl)-3-oxopropanoate；ethyl 3-morpholino-3-oxopropanoate；N-etossicarbonilacetilmorfolina；3-morpholin-4-yl-3-oxo-propionic acid ethyl ester；3-morpholino-3-oxo-propionic acid ethyl ester；3-Morpholino-3-oxo-propionsaeure-aethylester；ethyl 3-morpholin-4-yl-3-oxopropanoate
• CAS: 37714-64-0
• 化学式: C₉H₁₅NO₄
• mdl: MFCD05666088
• 分子量: 201.222
• InChiKey: VZSROXUCXBXPBM-UHFFFAOYSA-N

物化性质

• 熔点：
  59.5 °C
• 沸点：
  346.2±37.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  4-吗啉丙酸 b-氧代-乙酯 在 三氯氧磷 作用下， 生成 9-hydroxy-3-morpholin-4-yl-benzo[f]chromen-1-one
  参考文献：
  名称：

  Mazzei; Roma; Ermili, Farmaco, Edizione Scientifica, 1979, vol. 34, # 1, p. 52 - 61

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3-Bis(morpholino)-2-propensaeure-ethylester 在 溶剂黄146 作用下， 反应 2.0h， 以56%的产率得到4-吗啉丙酸 b-氧代-乙酯
  参考文献：
  名称：

  Enamines; 44¹. 2-Acyl-1,1-diamino-ethenes. A New Source of Methylketones, β-Keto Amides and β-Keto Esters

  摘要：

  报告了通过 1，1-二吗啉基和 1，1-二哌啶基乙烯与脂肪族和芳香族酰基氯反应合成 2-酰基-1，1-二氨基乙烯的一般方法，以及将其用作甲基酮、ß-酮酰胺和ß-酮酯的来源。

  DOI：

  10.1055/s-1986-31711

文献信息

• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Ren Pingda

  公开号：US20120122838A1

  公开（公告）日：2012-05-17

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  调节激酶活性的化合物和药物组合物，包括PI3激酶活性，以及与激酶活性相关的疾病和病况的化合物、药物组合物和治疗方法在此进行描述。
• NOVEL USES OF ESTERAMIDE COMPOUNDS
  申请人：Guglieri Massimo

  公开号：US20130210933A1

  公开（公告）日：2013-08-15

  The use of an esteramide compound, alone or as a mixture of the following formula (I): R 1 OOC-A-CONR 2 R 3 (I) is described, wherein: A is a covalent bond or a methylene group —CH 2 —, R 1 is an optionally substituted hydrocarbon group having from 1 to 36 carbon atoms, R 2 and R 3 , either identical or different, are groups selected from a hydrogen atom and optionally substituted hydrocarbon groups comprising from 1 to 36 carbon atoms, R 2 and R 3 may form together a ring having the nitrogen atom to which they are bound, said ring being, if need be, substituted and/or having an additional heteroatom and R 2 and R 3 not being simultaneously hydrogens. Also described, are applications for using the esteramide compound as a solvent, a co-solvent, a coalescence agent, a crystallization inhibitor, a plasticizer or an agent for increasing biological activity.

  该专利描述了一种酯酰胺化合物的使用，可以单独使用，也可以作为以下式（I）的混合物： R1OOC-A-CONR2R3（I） 其中： A是一个共价键或一个亚甲基基团-CH2-， R1是一个可选择取代的碳原子数为1到36的碳氢基团， R2和R3，可以相同也可以不同，是从氢原子和可选择取代的碳原子数为1到36的碳氢基团中选择的基团， R2和R3可以一起形成一个含有它们结合的氮原子的环，该环如有必要，可以被取代和/或具有额外的杂原子， R2和R3不能同时是氢原子。 此外，还描述了将该酯酰胺化合物用作溶剂、共溶剂、凝聚剂、结晶抑制剂、增加生物活性的塑化剂或剂。
• 1,2-Dithiol-3-ylideneammonium derivatives, compositions and use
  申请人：Rhone-Poulenc Sante

  公开号：US04407797A1

  公开（公告）日：1983-10-04

  New compounds of the formula: ##STR1## wherein X.sup..crclbar. is an anion, R is (C.sub.1-7) alkyl [unsubstituted or substituted by hydroxy, carboxy, alkoxycarbonyl, cyano, dialkylamino, alkylcarbonyl, or benzoyl which is unsubstituted or substituted by one or more halogen atoms or radicals selected from alkyl (optionally substituted by one or more halogens), alkoxy, hydroxy, amino, alkylamino, dialkylamino, cyano and nitro, or by a thenoyl radical (which is unsubstituted or substituted by one or more halogens or radicals selected from alkyl, cyano and nitro), or a pyridinecarbonyl, carbamoyl or dialkylcarbamoyl radical (the alkyl radicals of which can form a 5-membered or 6-membered heterocyclic ring) or a pyridyl radical], dialkylcarbamoyl (the alkyl radicals of which can form a 5-membered or 6-membered heterocyclic ring), (C.sub.2-4) alkenyl, (C.sub.2-4) alkynyl, alkoxycarbonyl or a 2-oxotetrahydrofuran-3-yl or 2-oxotetrahydropyran-3-yl ring, and either R.sub.1 and R.sub.2 are phenyl, cycloalkyl, alkyl or phenylalkyl or together form a 5-membered to 7-membered heterocyclic ring, or R.sub.1 is phenyl optionally substituted by one or more halogen atoms or radicals selected from alkyl optionally substituted by one or more halogens, alkoxy, hydroxy, amino, alkylamino, dialkylamino, cyano and nitro, or alternatively is cycloalkyl, alkyl or phenylalkyl, and R.sub.2 is a hydrogen atom, are useful as cytoprotective anti-ulcer agents.

  新化合物的化学式为：##STR1## 其中 X.sup..crclbar. 是阴离子，R 是 (C.sub.1-7) 烷基[未取代或取代为羟基、羧基、烷氧羰基、氰基、二烷基氨基、烷基羰基或苯甲酰基（未取代或取代为一个或多个卤素原子或从烷基（可选地取代为一个或多个卤素）、烷氧基、羟基、氨基、烷基氨基、二烷基氨基、氰基和硝基中选择的基团，或由一个硫酰基基团（未取代或取代为一个或多个卤素或从烷基、氰基和硝基中选择的基团）或吡啶羰基、氨基甲酰基或二烷基氨基甲酰基基团（其中烷基基团可以形成一个5-成员或6-成员的杂环环）或吡啶基], 二烷基氨基甲酰基（其中烷基基团可以形成一个5-成员或6-成员的杂环环），(C.sub.2-4) 烯基，(C.sub.2-4) 炔基，烷氧羰基或2-氧代四氢呋喃-3-基或2-氧代四氢吡喃-3-基环，且 R.sub.1 和 R.sub.2 要么是苯基、环烷基、烷基或苯基烷基，要么一起形成一个5-成员到7-成员的杂环环，或者 R.sub.1 是苯基，可选地取代为一个或多个卤素原子或从烷基可选地取代为一个或多个卤素、烷氧基、羟基、氨基、烷基氨基、二烷基氨基、氰基和硝基中选择的基团，或者替代地是环烷基、烷基或苯基烷基，而 R.sub.2 是氢原子，这些化合物可用作细胞保护性抗溃疡剂。
• Copper-Catalyzed 1,1-Alkylmonofluoroalkylation of Terminal Alkynes with Diazo Compounds and 2-Fluoro-1,3-dicarbonyl Compounds: Access toward (<i>E</i>)-β-Monofluoroalkyl-β,γ-unsaturated Esters or Ketones
  作者：Yunhe Lv、Weiya Pu、Xueli Zhu、Chen Chen、Shanshan Wang

  DOI：10.1021/acs.joc.1c00789

  日期：2021.8.6

  An efficient copper-catalyzed three-component 1,1-alkylmonofluoroalkylation of terminal alkynes, diazo compounds, and 2-fluoro-1,3-dicarbonyl compounds for the synthesis of (E)-β-monofluoroalkyl-β,γ-unsaturated esters or ketones has been developed. The methodology features a broad substrate scope, an inexpensive and easily available catalytic system, and excellent selectivity with good yields. The

  一种有效的铜催化三组分 1,1-烷基单氟烷基化末端炔烃、重氮化合物和 2-氟-1,3-二羰基化合物，用于合成 ( E )-β-单氟烷基-β,γ-不饱和酯或酮已经被开发出来。该方法具有广泛的底物范围、廉价且易于获得的催化系统以及出色的选择性和良好的产率。已经研究了串联铜催化交叉偶联和丙二烯的亲核加成的机制。
• Carbene Radicals in Cobalt(II)-Porphyrin-Catalysed Carbene Carbonylation Reactions; A Catalytic Approach to Ketenes
  作者：Nanda D. Paul、Andrei Chirila、Hongjian Lu、X. Peter Zhang、Bas de Bruin

  DOI：10.1002/chem.201301731

  日期：2013.9.23

  One‐pot radicals: Cobalt(III)–carbene radicals, generated by metallo‐radical activation of diazo compounds and N‐tosylhydrazone sodium salts with cobalt(II) complexes of porphyrins, readily undergo radical addition to carbon monoxide, allowing the catalytic production of ketenes. These ketenes subsequently react with various amines, alcohols and imines in one‐pot tandem transformations to produce differently

  一锅自由基：钴（III）-卡宾自由基，由重氮化合物和N-甲苯磺酰腙钠盐与卟啉的钴（II）络合物的金属自由基活化产生，容易与一氧化碳发生自由基加成，从而催化生产酮。这些乙烯酮随后与各种胺、醇和亚胺在一锅串联转化中反应，以良好的分离产率生产不同取代的酰胺、酯和 β-内酰胺。