ethyl 4-[(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoate | 885561-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-[(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoate
• 英文别名: ethyl 4-[4-(4-methoxyphenyl)-tetrahydro-2H-pyran-4-caroxamido]benzoate；ethyl 4-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
• CAS: 885561-38-6
• 化学式: C₂₂H₂₅NO₅
• 分子量: 383.444
• InChiKey: AWOXIWVMUWTHGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-[(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoate 在 氯化亚砜 、 三乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 甲苯 为溶剂， 反应 19.0h， 生成 4-(4-methoxyphenyl)-N-[4-(piperidin-1-carbonyl)-phenyl]tetrahydro-2H-pyran-4-carboxamide
  参考文献：
  名称：

  Synthesis of p-aminobenzoic acid diamides based on 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid and [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine

  摘要：

  Reaction of 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxyl chloride with anesthesin followed by hydrolysis of the formed ester has afforded 4-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoic acid. The acid chloride has been used for acylation of various amines to yield the corresponding diamides. Reaction of [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine with chlorides of N-substituted p-aminobenzoic acids has led to formation of diamides.

  DOI：

  10.1134/s1070363215050096
• 作为产物：
  描述：

  4-(4-甲氧基苯基)四氢-2H-吡喃-4-甲腈 在 氯化亚砜 、 三乙胺 、 potassium hydroxide 作用下， 以 乙二醇 、 甲苯 、 苯 为溶剂， 反应 20.0h， 生成 ethyl 4-[(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoate
  参考文献：
  名称：

  Synthesis of p-aminobenzoic acid diamides based on 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid and [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine

  摘要：

  Reaction of 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxyl chloride with anesthesin followed by hydrolysis of the formed ester has afforded 4-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoic acid. The acid chloride has been used for acylation of various amines to yield the corresponding diamides. Reaction of [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine with chlorides of N-substituted p-aminobenzoic acids has led to formation of diamides.

  DOI：

  10.1134/s1070363215050096

文献信息

• Synthesis and Antibacterial Activity of Novel (4-Methoxyphenyl)-tetrahydropyranyl-substituted 1,3,4-Oxadiazoles
  作者：А. А. Aghekyan、G. G. Mkryan、H. A. Panosyan、A. S. Safaryan、H. M. Stepanyan

  DOI：10.1134/s1070428020020177

  日期：2020.2

  4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonyl chloride with hydrazine hydrate, furan-2- and 2,5-dimethylfuran-2carbohydrazides gave disubstituted hydrazides, whose cyclization formed symmetrical and unsymmetrical 2,5-disubstituted 1,3,4-oxadiazoles. Ethyl 4-[4-(4-methoxyphenyl)-tetrahydro-2H-pyran-4-carboxamido]benzoate was reacted with hydrazine to obtain N-[4-(hydrazinocarbonyl)-phenyl]-4-(4-methoxp

  摘要4-（4-甲氧基苯基）四氢-2 H-吡喃-4-羰基氯与水合肼，呋喃-2-和2,5-二甲基呋喃-2碳酰肼的缩合生成二取代的酰肼，其环化形成对称和不对称的2,5-二取代的1,3,4-恶二唑 使4- [4-（4-甲氧基苯基）-四氢-2 H-吡喃-4-甲酰胺基]苯甲酸乙酯与肼反应，得到N- [4-（肼基羰基）-苯基] -4-（4-甲氧基苯基）四氢-2高-吡喃-4-羧酰胺。用原甲酸三乙酯处理后者，得到单取代的1,3,4-恶二唑，并且用二硫化碳，获得5-硫烷基-1,3,4-恶二唑衍生物。该衍生物随后用5-甲氧基呋喃-2-甲基和苄基氨基羰基甲基氯化物取代的氯化物进行烷基化，从而合成了相应的新型S-取代的恶二唑衍生物。测试合成的化合物的抗菌活性。
• [EN] WNT PATHWAY INHIBITORS<br/>[FR] INHIBITEURS DE LA VOIE WNT
  申请人：OSLO UNIVERSITY HOSPITAL HF

  公开号：WO2013093508A2

  公开（公告）日：2013-06-27

  Wnt pathway inhibitors A class of compounds having general formula (I) has been identified. These compounds function as inhibitors of the Wnt pathway. Compounds of formula (I) are suitable for the treatment and/or prevention of any condition or disease in which it is desirable to inhibit signaling in the Wnt pathway, in particular inhibiting the proliferation of tumor cells, especially those associated with breast cancer, non-small cell lung cancer, pancreatic and colorectal cancers (e.g. colon carcinoma cells). The compounds also find use in methods of preventing metastasis and methods of promoting and/or directing cellular differentiation of progenitor cells.
• Synthesis of p-aminobenzoic acid diamides based on 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid and [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine
  作者：A. A. Agekyan、G. G. Mkryan

  DOI：10.1134/s1070363215050096

  日期：2015.5

  Reaction of 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxyl chloride with anesthesin followed by hydrolysis of the formed ester has afforded 4-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonylamino]benzoic acid. The acid chloride has been used for acylation of various amines to yield the corresponding diamides. Reaction of [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine with chlorides of N-substituted p-aminobenzoic acids has led to formation of diamides.