N-(4-氯苯亚甲基)环丙胺 | 1013624-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-氯苯亚甲基)环丙胺
• 英文名称: N-(4-chlorobenzylidene)cyclopropanamine
• 英文别名: 4-chlorobenzylidene cyclopropylamine；1-(4-chlorophenyl)-N-cyclopropylmethanimine
• CAS: 1013624-47-9
• 化学式: C₁₀H₁₀ClN
• 分子量: 179.649
• InChiKey: MPVVBSYVVJWMAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(4-氯苯亚甲基)环丙胺 在 sodium tetrahydroborate 、 sodium tungstate 、 双氧水 作用下， 以 甲醇 、 水 为溶剂， 生成 1-(4-chlorophenyl)-N-cyclopropylmethanimine oxide
  参考文献：
  名称：

  Synthesis of C-Aryl-N-cyclopropylnitrones

  摘要：

  Synthesis of C-aryl-N-cyclopropylnitrones is described. Preparations were performed either by condensation of the appropriate aldehyde with N-cyclopropyl-hydroxylamine, or oxidation of N-substituted N-cyclopropylamines with sodium tungstate/hydrogen peroxide.

  DOI：

  10.1081/scc-120024001
• 作为产物：
  描述：

  4-氯苯甲醇 在 2-碘酰基苯甲酸 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 1.0h， 生成 N-(4-氯苯亚甲基)环丙胺
  参考文献：
  名称：

  Ugi Four-Component Reaction of Alcohols: Stoichiometric and Catalytic Oxidation/MCR Sequences

  摘要：

  A new, simple, and efficient procedure for the one-pot Ugi four-component reaction of alcohols instead of aldehydes is described. Using a stoichiometric amount of IBX or only 1-2% of sodium 2-iodobenzenesulfonate in the presence of Oxone, a wide range of primary alcohols were oxidized to the aldehyde that were directly engaged in the Ugi four-component reaction to afford alpha-acetamidoamides in good to excellent yields.

  DOI：

  10.1021/ol401181a

文献信息

• T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones—optimization, design and synthesis
  作者：Elizabeth M. Smith、Steve Sorota、Hyunjin M. Kim、Brian A. McKittrick、Terry L. Nechuta、Chad Bennett、Chad Knutson、Duane A. Burnett、Jane Kieselgof、Zheng Tan、Diane Rindgen、Terry Bridal、Xiaoping Zhou、Yu-Ping Jia、Zoe Dong、Debbie Mullins、Xiaoping Zhang、Tony Priestley、Craig C. Correll、Deen Tulshian、Michael Czarniecki、William J. Greenlee

  DOI：10.1016/j.bmcl.2010.06.012

  日期：2010.8

  A series of spiro-azetidines and azetidinones has been evaluated as novel blockers of the T-type calcium channel (CaV3.2) which is a new therapeutic target for the potential treatment of both inflammatory and neuropathic pain. Confirmation and optimization of the potency, selectivity and DMPK properties of leads will be described.

  已经评估了一系列螺氮杂环丁烷和氮杂环丁酮作为T型钙通道（Ca V 3.2）的新型阻滞剂，它是潜在治疗炎性和神经性疼痛的新治疗靶标。将描述和验证潜在性，选择性和DMPK特性的优化。
• Pseudo-Seven-Component Double Azido-Ugi Reaction: an Efficient Synthesis of Bistetrazole Derivatives
  作者：Irina V. Kutovaya、Danil P. Zarezin、Olga I. Shmatova、Valentine G. Nenajdenko

  DOI：10.1002/ejoc.201900662

  日期：2019.6.30

  Pseudo‐seven‐component double azido‐Ugi reactions were investigated. Compounds bearing two 1,5‐disubstituted tetrazole rings in the structure were obtained by the proposed approach. Bis‐NH‐tetrazoles were synthesized by means of catalytic debenzylation of bis‐N‐benzyltetrazoles.

  研究了伪七成分双叠氮基-Ugi反应。通过提出的方法获得了在结构中带有两个1,5-二取代的四唑环的化合物。通过双-N-苄基四唑的催化脱苄基作用合成了双-NH-四唑。
• Synthesis and spectral studies on Cd(II) dithiocarbamate complexes and their use as precursors for CdS nanoparticles
  作者：Ethiraj Sathiyaraj、Krishnaraj Padmavathy、Chandran Udhaya Kumar、Kannan Gokula Krishnan、Chennan Ramalingan

  DOI：10.1016/j.molstruc.2017.06.080

  日期：2017.11

  experimental results. The complexes 1 and 2 have been used as single source precursors for the synthesis of ethyleneglycol capped CdS 1 and CdS 2 nanoparticles, respectively. CdS 1 and CdS 2 nanoparticles have been synthesized by solvothermal method. PXRD, SEM, Elemental colour mapping, EDAX, TEM and UV–Vis spectroscopy have been used to characterize the as-prepared CdS nanoparticles. The X-ray diffraction

  摘要 双(N-环丙基-N-4-氯苄基二硫代氨基甲酸-S,S ')镉(II) ( 1 ) 和 (2,2'-联吡啶) 双( N-环丙基-N-4-氯苄基二硫代氨基甲酸- S,S ' ) 镉 (II) ( 2 ) 已通过 FT-IR、 1 HNMR 和 13 C NMR 分析进行合成和表征。对于复合物 2 ，已使用 DFT/B3LYP 方法和 LANL 2DZ 基本集执行单晶 X 射线衍射分析和计算研究（优化几何、HOMO-LUMO 和 MEP）。优化后的键长和键角与实验结果吻合良好。复合物 1 和 2 已分别用作合成乙二醇封端的 CdS 1 和 CdS 2 纳米粒子的单一来源前体。CdS 1 和CdS 2 纳米颗粒已通过溶剂热法合成。PXRD、SEM、元素颜色映射、EDAX、TEM 和 UV-Vis 光谱已被用于表征所制备的 CdS 纳米粒子。X 射线衍射图证实了它们的六边形结构。
• Synthesis and spectroscopic characterization of Ni(II) complexes involving functionalised dithiocarbamates and triphenylphosphine: Anagostic interaction in (N-cyclopropyl-N-(4-fluorobenzyl)dithiocarbamato-S,S′) (thiocyanato-N)(triphenylphosphine)nickel(II)
  作者：E. Sathiyaraj、T. Srinivasan、S. Thirumaran、D. Velmurugan

  DOI：10.1016/j.molstruc.2015.08.053

  日期：2015.12

  presence of the π-accepting triphenylphosphine. Electronic spectral studies indicated square planar geometry around the nickel(II) central atom for all the complexes. Single crystal X-ray structural analysis of 11 confirms that the coordination geometry about the Ni is distorted square planar. The C–H…F interactions lead to a polymeric structure and a rare intramolecular anagostic interaction [M…H = 2

  摘要 十二种新的镍 (II) 配合物，即 [Ni(S2CNRR')2](1-6) 和 [Ni(S2CNRR')(NCS)(PPh3)](7-12) [其中 R = 环丙基 (cPr); R' = 2HO–C6H4–CH2– (1,7)、3HO– – – (2,8)、4HO– – – (3,9)、4CH3O– – – (4,10) , 4F– – – (5,11), 4Cl– – – (6,12)] 已通过元素分析、IR、UV–Vis 和 NMR（1H 和 13C）光谱制备和表征。对（N-环丙基-N-（4-氟苄基）二硫代氨基甲酸根-S，S'）（硫氰酸根合-N）-（三苯基膦）镍（II）进行单晶X射线结构分析。与均配配合物 1-6 相比，vC-N 硫脲的波数增加和杂配配合物 7-12 的化学位移值降低是由于电子密度从二硫代氨基甲酸酯部分向金属中心的中间漂移，增加碳氮双键特性。C-N
• AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM
  申请人：McKittrick A. Brian

  公开号：US20080089858A1

  公开（公告）日：2008-04-17

  Disclosed are compounds of the formula: and compounds of the formula: wherein R 1 , R 2 , R 3 , R 4 , R 5 , u and v are as defined herein. Also disclosed are methods of treating pain (e.g., inflammatory pain, chronic pain, and neuropathic pain), methods of treating diabetes, and methods of inhibiting the absorption of cholesterol using compounds of formula I or IIA.

  本发明涉及以下式的化合物：以及以下式的化合物：其中R1，R2，R3，R4，R5，u和v如本文所定义。本发明还涉及使用I或IIA式化合物治疗疼痛（例如，炎性疼痛，慢性疼痛和神经病理性疼痛）的方法，治疗糖尿病的方法以及抑制胆固醇吸收的方法。