N-propargylcyclopentylamine | 756422-90-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-propargylcyclopentylamine
• 英文别名: cyclopentyl-prop-2-ynyl-amine；N-(prop-2-yn-1-yl)cyclopentanamine；N-prop-2-ynylcyclopentanamine
• CAS: 756422-90-9
• 化学式: C₈H₁₃N
• mdl: MFCD07411958
• 分子量: 123.198
• InChiKey: MNWLDSWPEXCQQV-UHFFFAOYSA-N

物化性质

• 沸点：
  205.7±13.0 °C(Predicted)
• 密度：
  0.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-二甲氨基苯基硫代异氰酸酯 、 N-propargylcyclopentylamine 以 1,4-二氧六环 为溶剂， 生成 N'-(3-cyclopentyl-5-methylene-thiazolidin-2-ylidene)-N,N-dimethyl-benzene-1,4-diamine
  参考文献：
  名称：

  Arya,V.P. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1977, vol. 15, p. 133 - 140

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氯丙炔 、 环戊胺 生成 N-propargylcyclopentylamine
  参考文献：
  名称：

  Arya,V.P. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1977, vol. 15, p. 133 - 140

  摘要：

  DOI：

文献信息

• Synthesis of Polysubstituted Pyrroles from Activated Alkynes and<i>N</i>-Propargylamines through Base-Catalyzed Cascade Reaction
  作者：Jianquan Weng、Yong Chen、Binjie Yue、Meng Xu、Hongwei Jin

  DOI：10.1002/ejoc.201500166

  日期：2015.5

  A novel K3PO4-catalyzed synthesis of polysubstituted pyrroles by a Michael addition/alkyne carbocyclization of activated alkynes and N-propargylamines has been developed. This transition-metal-free cascade process represents an environmental friendly and efficient way to construct polysubstituted pyrroles in good yields. Catalyzed by CsF, a Michael addition/aza-Claisen rearrangement/cyclization sequential

  已经开发了一种新型 K3PO4 催化合成多取代吡咯，通过迈克尔加成/炔烃碳环化活化炔烃和 N-炔丙胺。这种无过渡金属的级联工艺代表了一种以良好产率构建多取代吡咯的环境友好且有效的方法。在 CsF 的催化下，已经实现了迈克尔加成/氮杂-克莱森重排/环化顺序过程，以中等产率选择性合成吡咯。
• Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use
  申请人：Schaper Wolfgang

  公开号：US20050256000A1

  公开（公告）日：2005-11-17

  Compounds of the formula (I) and salts thereof in which X is O or S; (Y) n =n substituents Y, n is 0, 1, 2, 3 or 4, R 1 is H, OH, NH 2 , (C 1 -C 4 )-alkylamino, di-[(C 1 -C 4 )-alkyl]amino or optionally substituted (C 1 -C 10 )-alkyl, (C 3 -C 10 )-alkenyl, (C 3 -C 10 )-alkynyl or (C 1 -C 10 )-alkoxy, (C 3 -C 10 )-cycloalkyl, (C 4 -C 10 )-cycloalkenyl, aryl or heterocyclyl, R 2 is H or optionally substituted (C 1 -C 10 )-alkyl, (C 3 -C 10 )-alkenyl, (C 3 -C 10 )-alkynyl, (C 3 -C 10 )-cycloalkyl, (C 4 -C 10 )-cycloalkenyl, aryl or heterocyclyl, where the radicals Y are as defined in claim 1 are suitable for use as safeners for crop plants or useful plants against the phytotoxic actions of agrochemicals such as pesticides in these plants.

  该式(I)的化合物及其盐，其中X为O或S；(Y)n=n取代基Y，n为0、1、2、3或4，R1为H、OH、NH2、(C1-C4)-烷基氨基、二-[(C1-C4)-烷基]氨基或可选择取代的(C1-C10)-烷基、(C3-C10)-烯基、(C3-C10)-炔基或(C1-C10)-烷氧基、(C3-C10)-环烷基、(C4-C10)-环烯基、芳基或杂环烷基，R2为H或可选择取代的(C1-C10)-烷基、(C3-C10)-烯基、(C3-C10)-炔基、(C3-C10)-环烷基、(C4-C10)-环烯基、芳基或杂环烷基，其中所述的基Y如权利要求1所定义的适用于作为作物植物或有用植物的安全剂，用于抵抗这些植物中农药等农药的植物毒性作用。
• [EN] IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS<br/>[FR] LIGANDS DU RÉCEPTEUR AUX IMIDAZOLINES DE TYPE 1 À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：RIDEOUT DARRYL

  公开号：WO2016105448A1

  公开（公告）日：2016-06-30

  This disclosure provides compounds and compositions for use as analgesics and for the treatment of various conditions, such as pain, headaches, allodynia, and fibromyalgia. The disclosure also provides compounds that are ligands, and in some embodiments, modulators (e.g., agonists), for the imidazoline receptor type 1.

  本公开提供了作为止痛剂和用于治疗各种病症的化合物和组合物，如疼痛、头痛、触痛和纤维肌痛。本公开还提供了作为嘌呤受体1的配体的化合物，有些实施例中还提供了对其的调节剂（例如，激动剂）。
• Heterocyclic amides, a process for their preparation, compositions comprising them and their use
  申请人：——

  公开号：US20040006047A1

  公开（公告）日：2004-01-08

  What is described are amides of the formula (I) and salts thereof, 1 where the symbols and indices are as defined below: X is CH or N; Y is O or S; n is 0 or 1; R 1 is (C 1 -C 4 )-haloalkyl; R 2 , R 3 independently of one another are hydrogen, (C 1 -C 4 )-alkyl, (C 1 -C 4 )-haloalkyl or halogen, R 4 is hydrogen, (C 1 -C 10 )-alkyl, (C 3 -C 10 )-cycloalkyl, (C 3 -C 10 )-alkenyl or (C 3 -C 10 )-alkynyl, where in the alkyl, cycloalkyl, alkenyl or alkynyl groups mentioned up to three hydrogen atoms may be replaced by halogen, in the case of fluorine also up to the maximum number; R 5 is an aliphatic heterocycle which contains at least one oxygen, sulfur, nitrogen and/or silicon ring atom, which is unsubstituted or substituted by one to six monovalent groups and which may be part of a spirocyclic, fused or bicyclic ring system. These compounds can be used for controlling pests.

  描述的是化合物(I)及其盐的酰胺，其中符号和指数定义如下：X为CH或N；Y为O或S；n为0或1；R1为(C1-C4)-卤代烷基；R2，R3分别为氢，(C1-C4)-烷基，(C1-C4)-卤代烷基或卤素；R4为氢，(C1-C10)-烷基，(C3-C10)-环烷基，(C3-C10)-烯基或(C3-C10)-炔基，其中在所述烷基，环烷基，烯基或炔基中最多三个氢原子可被卤素取代，对于氟也可达到最大数量；R5是含有至少一个氧，硫，氮和/或硅环原子的脂肪杂环，该环原子未取代或被一到六个一价基团取代，并且可能是螺环，融合环或双环系统的一部分。这些化合物可用于控制害虫。
• A biocatalytic cascade for the amination of unfunctionalised cycloalkanes
  作者：Michele Tavanti、Juan Mangas-Sanchez、Sarah L. Montgomery、Matthew P. Thompson、Nicholas J. Turner

  DOI：10.1039/c7ob02569f

  日期：——

  Here we describe a one-pot, three-enzyme, cascade involving a cytochrome P450 monooxygenase, an alcohol dehydrogenase and a reductive aminase for the synthesis of secondary amines from cycloalkanes. Amine product concentrations of up to 19.6 mM were achieved. The preparative scale amination of cyclohexane was also demonstrated with a space–time yield of 2 g L−1 d−1.

  在这里，我们描述了一种一锅三酶级联反应，涉及一种细胞色素P450单加氧酶，一种醇脱氢酶和一种还原性氨化酶，用于从环烷烃合成仲胺。胺产品浓度达到了19.6 mM。还证明了环己烷的制备规模胺化反应的时空产率为2 g L -1 d -1。