3-aminopropanenitrile hydrochloride | 646-03-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-aminopropanenitrile hydrochloride
• 英文别名: 1-aminopropionitrile hydrochloride；3-aminopropionitrile hydrochloride；β-alanine nitrile; hydrochloride；β-Alanin-nitril; Hydrochlorid；3-aminopropanenitrile;hydrochloride
• CAS: 646-03-7
• 化学式: C₃H₆N₂*ClH
• mdl: MFCD22741514
• 分子量: 106.555
• InChiKey: SOWHACJNMKTTRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.85
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-aminopropanenitrile hydrochloride 在 五氯化磷 作用下， 以 苯 为溶剂， 生成 1,3-Bistrichlorophosphazo-1,1,2,2-tetrachloropropan
  参考文献：
  名称：

  Pinchuk,A.M.; Kosinskaya,I.M., Journal of general chemistry of the USSR, 1970, vol. 40, p. 512 - 516

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(2-氰基乙基)-邻苯二甲酰亚胺 在 一水合肼 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 7.0h， 以97.7%的产率得到3-aminopropanenitrile hydrochloride
  参考文献：
  名称：

  Synthesis and antiviral, insecticidal, and fungicidal activities of gossypol derivatives containing alkylimine, oxime or hydrazine moiety

  摘要：

  Gossypol is a part of the cotton plant's defense system against pathogens and herbivorous insects. To discover gossypol analogs with broad spectrum and high activity, a series of gossypol alkylamine Schiff base, oxime and hydrazone derivatives were synthesised and bioassayed. The biological results indicated that most of these derivatives exhibited higher anti-TMV activity than gossypol. Interestingly, the activities of compounds 10, 15, 18, 20, 23 and 26 were much higher than that of ribavirin. Furthermore, compound 26, which was low toxicity to rat, showed better activity than control plant virus inhibitors in the field. Additionally, allyl amine Schiff base (9) displayed remarkable insecticidal activities against Mythimna separata, Helicoverpa armigera and Ostrinia nubilalis, whereas (pyridin-3-yl) methanamine Schiff base (13) showed excellent activity against Culex pipiens pallens. The fungicidal results revealed that all of compounds exhibited good activity against Physalospora piricola. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.08.015

文献信息

• 棉酚衍生物和它们的制备 ,在农药上的应用及 抗癌活性
  申请人：南开大学

  公开号：CN105884634B

  公开（公告）日：2019-06-04

  本发明涉及棉酚衍生物及其制备方法和在防治植物病毒、杀虫、杀菌和抗癌方面的应用，式中各基团的意义见说明书。本发明的棉酚衍生物表现出优异的抗植物病毒，杀菌活性，杀虫活性和抗癌活性。。
• A Short and Efficient Synthesis of 3,4-Dialkoxypyrroles
  作者：Andreas Merz、Thomas Meyer

  DOI：10.1055/s-1999-3687

  日期：——

  3,4-Dialkoxypyrroles are obtained in four steps from commercially available 2,5-dimethoxy-2,5-dihydrofuran (1). The dihydrofuran 1 is first oxidized by KMnO4 to the diol 2 which is bisalkylated to 3a-d. Reaction of the in situ generated dialdehydes with a primary amine affords the N-substituted dialkoxypyrroles 4a-m. N-Benzyl-3,4-dialkoxypyrroles and N-allyl-dialkoxypyrroles are cleaved by sodium in liquid ammonia affording N-unsubstituted dialkoxypyrroles 5a-c in good overall yield.

  3,4-二烷氧基吡咯通过四个步骤从商业可得的2,5-二甲氧基-2,5-二氢呋喃（1）获得。首先，二氢呋喃1被KMnO4氧化成二醇2，然后对其进行双烷基化反应生成3a-d。通过与原位生成的双醛与一级胺反应，得到了N取代的双烷氧基吡咯4a-m。N-苄基-3,4-二烷氧基吡咯和N-烯丙基-双烷氧基吡咯在液氨中被钠裂解，获得了N-未取代的双烷氧基吡咯5a-c，整体产率良好。
• Synthesis and DNA binding properties of saturated distamycin analogues
  作者：Craig R. Woods、Nicolas Faucher、Bernd Eschgfaller、Kenneth W. Bair、Dale L. Boger

  DOI：10.1016/s0960-894x(02)00467-5

  日期：2002.9

  saturated heterocyclic analogues of distamycin were prepared and examined. A fluorescent intercalator displacement (FID) assay conducted on p[dA]-p[dT] DNA to obtain C(50) values and a hairpin deoxyoligonucleotide containing an A/T-rich binding site was used to evaluate DNA binding affinity. It is observed that saturated heterocycles greatly reduce the DNA binding relative to distamycin.

  制备并检查了一系列的他霉素的饱和杂环类似物。对p [dA] -p [dT] DNA进行荧光嵌入剂置换（FID）分析以获得C（50）值，并使用含有富含A / T的结合位点的发夹脱氧寡核苷酸来评估DNA结合亲和力。观察到饱和杂环大大降低了相对于双霉素的DNA结合。
• Novel compounds
  申请人：Callahan F. James

  公开号：US20060235029A1

  公开（公告）日：2006-10-19

  Novel substituted 2,4,8-trisubstituted 8H-pyrido[2,3-d]pyrimidin-7-one containing compounds and compositions, and their use use in therapy as CSBP/RK/p38 kinase inhibitors.

  小说替代2,4,8-三取代8H-吡啶[2,3-d]嘧啶-7-酮含化合物和组合物，并用于治疗作为CSBP / RK / p38激酶抑制剂。
• Novel Compounds
  申请人：Callahan James Francis

  公开号：US20090069318A1

  公开（公告）日：2009-03-12

  Novel substituted 2,4,8-trisubstituted 8H-pyrido[2,3-d]pyrimidin-7-one containing compounds and compositions, and their use in therapy as CSBP/RK/p38 kinase inhibitors.

  小说代替了2,4,8-三取代8H-吡啶[2,3-d]嘧啶-7-酮化合物和组合物，并且它们作为CSBP / RK / p38激酶抑制剂在治疗中使用。