1-(对甲氧基苯基)-双胍 | 43191-41-9

• 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: 1-(对甲氧基苯基)-双胍
• 中文别名: N-(4-甲氧苯基)亚胺基二碳亚胺二酰胺；亚胺基二碳亚胺二酰胺,N-(4-甲氧苯基)-；对-甲氧基1-苯基双胍；1-(二氨基亚甲基)-2-(4-甲氧苯基)胍；双胍,1-(对-甲氧苯基)-
• 英文名称: 1-carbamimidamido-N-(4-methoxyphenyl)methanimidamide
• 英文别名: N(1)-(4-methoxyphenyl)biguanide；4-methoxyphenylbiguanide；1-(4-methoxy-phenyl)-biguanide；1-(4-Methoxy-phenyl)-biguanid；N-(4-Methoxy-phenyl)-N'-guanyl-guanidin；ω-(4-Methoxy-phenyl)-biguanid；1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine
• CAS: 43191-41-9
• 化学式: C₉H₁₃N₅O
• mdl: MFCD00448707
• 分子量: 207.235
• InChiKey: FKFRZIDBWCMAJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(对甲氧基苯基)-双胍 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 9.0h， 生成 {4-氨基-6-(苯基氨基)-[1,3,5]三嗪-2-基}甲醇
  参考文献：
  名称：

  Optimised synthesis of diamino-triazinylmethyl benzoates as inhibitors of Rad6B ubiquitin conjugating enzyme

  摘要：

  DOI：

  10.1016/j.tetlet.2014.10.122
• 作为产物：
  描述：

  N-(4-methoxyphenyl)imidodicarbonimidic diamide hydrochloride 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 1-(对甲氧基苯基)-双胍
  参考文献：
  名称：

  The biguanide–sulfonamide derivatives: synthesis, characterization and investigation of anticholinesterase inhibitory, antioxidant and DNA/BSA binding properties

  摘要：

  DOI：

  10.1080/07391102.2023.2184637

文献信息

• Iridium Supported on Phosphorus‐Doped Porous Organic Polymers: Active and Recyclable Catalyst for Acceptorless Dehydrogenation and Borrowing Hydrogen Reaction
  作者：Wei Yao、Zheng‐Chao Duan、Yilin Zhang、Xinxin Sang、Xiao‐Feng Xia、Dawei Wang

  DOI：10.1002/adsc.201900929

  日期：2019.12.17

  catalyst, which was thoroughly characterized by means of EDS, SEM, TEM, XRD, XPS, and FT‐IR, revealed excellent catalytic activity for the reaction of diphenyl phosphinamide with benzyl alcohols through borrowing hydrogen strategy and acceptorless dehydrogenation with wide functional group tolerance. Moreover, this POP−Ir catalyst could be simply recovered and reused for at least five times without a significant

  铱掺杂磷的多孔有机聚合物（POP-Ir）是通过将简单的铱通过配位键固定在多孔有机聚合物的骨架上而开发的。该POP-Ir催化剂通过EDS，SEM，TEM，XRD，XPS和FT-IR进行了彻底表征，通过借用氢策略和无受体的广泛脱氢反应，显示出对二苯基膦酰胺与苄醇反应的出色催化活性。功能组耐受性。此外，这种POP-Ir催化剂可以简单地回收和再利用至少五次，而不会显着降低活性，并显示出可观的应用前景。对该机制进行了研究，以进一步了解该POP-Ir催化体系和转化。全面的，
• [EN] HETEROARYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION
  申请人：MINORYX THERAPEUTICS S L

  公开号：WO2018122775A1

  公开（公告）日：2018-07-05

  The application is directed to compounds of formula (I): and their salts and solvates, wherein R1, R2, R3, A1, A2, A3, and n are as set forth in the specification, as well as to a method for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of a lysosomal storage disease, such as Gaucher's, and other diseases or disorders that are synucleinopathies.

  该申请涉及式(I)的化合物及其盐和溶剂合物，其中R1、R2、R3、A1、A2、A3和n如规范中所述，以及它们的制备方法，包含它们的药物组合物，以及用于治疗和/或预防溶酶体贮积病（如高雪氏病）和其他α-突触核蛋白病的用途。
• Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement
  作者：Nikhil Sachdeva、Anton V. Dolzhenko、Wai Keung Chui

  DOI：10.1039/c2ob25195g

  日期：——

  A novel thermal rearrangement, involving pyrimidine ring opening and subsequent ring closure leading to recyclization of the system, was identified in the reaction of (6-oxo-1,6-dihydropyrimidin-2-yl)guanidines 3 (where NR1R2 = NH2, NH alkyl, NH aralkyl, NHCH2Ph(R)) with triethyl orthoacetate, affording 4-substituted-2-methyl-6H-pyrimido[1,2-a][1,3,5]triazin-6-ones 6 and their ring opened products

  在（6-氧代-1,6-二氢嘧啶-2-基）胍3（其中NR 1 R 2 = NH 2，NH烷基，NH芳烷基，NHCH 2 Ph（R））与原乙酸三乙酯得到4-取代的-2-甲基-6 H-嘧啶基[1,2- a ] [1,3,5]三嗪-6-ones 6及其开环产物。但是，对于带有叔氨基或苯胺基取代基的（6-氧代-1,6-二氢嘧啶-2-基）胍3，未观察到这样的重排（即NR 1 R 2 = N（CH 3）2，吲哚啉，吗啉代，NHAr）。如所预期的，获得2-取代的-4-甲基-6 H-嘧啶基[1,2- a ] [1,3,5]三嗪-6-酮4作为最终产物。进行了实验结构确定和理论研究，以了解所观察到的热重排。此外，尝试使用以下方法获得相似的嘧啶并[1,2- a ] [1,3,5] triazin-6-onesN，N-二甲基乙酰胺二甲基乙缩醛（DMA-DMA）作为一个碳插入合成子，由于与第二个DMA-DMA分子进一
• Arylbiguanides in Heterocyclization Reactions
  作者：D. V. Kryl’skii、Kh. S. Shikhaliev、A. S. Shestakov、M. M. Liberman

  DOI：10.1007/s11176-005-0218-x

  日期：2005.2

  The reactions of arylbiguanides with acetyacetone derivatives were used to obtain N-(pyrimidin-2-yl)-N′-arylguanidines, and the reactions with acetoacetic ester derivatives (depending on the structure of the keto esters), N-aryl-N′-(4-oxo-3,4-dihydropyrimidin-2-yl)guanidines or 2-amino-4-arylamino-6-aryl(heteryl)-sulfanylmethylene-1,3,5-triazines. The N-aryl-N′-heterylguanidines formed by the reactions with anhydrides, acyl halides, and aryl isocyanates give rise to the corresponding triaza derivatives.

  芳基双胍与乙酰丙酮衍生物反应得到N-(嘧啶-2-基)-N'-芳基胍，与乙酰乙酸酯衍生物(取决于酮酯的结构)、N-芳基-N'反应-(4-氧代-3,4-二氢嘧啶-2-基)胍或2-氨基-4-芳基氨基-6-芳基(杂基)-硫酰亚甲基-1,3,5-三嗪。通过与酸酐、酰卤和芳基异氰酸酯反应形成的N-芳基-N'-杂基胍产生相应的三氮杂衍生物。
• Reaction of Biguanides and Related Compounds. VIII. The Condensation of Arylbiguanides and N-Amidino-O-alkylisoureas with Diketene and Ethyl Acetoacetate
  作者：MITSURU FURUKAWA、TAKATOSHI YOSHIDA、MOTOO GOTO、SEIGORO HAYASHI

  DOI：10.1248/cpb.21.2594

  日期：——

  The reaction of arylbiguanides and N-amidino-O-alkylisoureas with diketene was found to proceed through the acylated intermediates to give pyrimidines and s-triazines. The reaction of arylbiguanides with ethyl acetoacetate was also attempted and the proportion of pyrimidines and s-triazines obtained was found to be almost equall to that in the case of the reaction with diketene. Therefore, this reaction was also elucidated to proceed via the acylated intermediates.

  发现芳基胍类和 N-脒基-O-烷基异脲类与二乙烯的反应通过酰化中间体进行，生成嘧啶和 s-三嗪。还尝试了芳基双胍与乙酰乙酸乙酯的反应，发现得到的嘧啶和 s-三嗪的比例几乎与与二酮烯反应的比例相同。因此，该反应也被证实是通过酰化中间体进行的。