2-Methyl-3-phenyl-pyrrolidin | 33562-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-Methyl-3-phenyl-pyrrolidin
• 英文别名: 2-Methyl-3-phenylpyrrolidine
• CAS: 33562-39-9
• 化学式: C₁₁H₁₅N
• mdl: MFCD16737603
• 分子量: 161.247
• InChiKey: JZLQMGWQLRCDIE-UHFFFAOYSA-N

物化性质

• 沸点：
  252.4±19.0 °C(Predicted)
• 密度：
  0.954±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 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：

  2-Methyl-3-phenyl-pyrrolidin 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 戊醇 为溶剂， 反应 14.0h， 生成 trans-N-(Tetrahydropyrimidin-2-yl)-2-methyl-3-phenylpyrrolidinium acetate
  参考文献：
  名称：

  Rationally Designed Guanidine and Amidine Fungicides

  摘要：

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.

  DOI：

  10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3
• 作为产物：
  描述：

  3-苯丙酸乙酯 在 lithium aluminium tetrahydride 、 四丁基氟化铵 、 溶剂黄146 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 15.0h， 生成 2-Methyl-3-phenyl-pyrrolidin
  参考文献：
  名称：

  Rationally Designed Guanidine and Amidine Fungicides

  摘要：

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.

  DOI：

  10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3

文献信息

• [EN] PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRIMIDINE UTILISÉS DANS LE TRAITEMENT DU CANCER
  申请人：MERCK PATENT GMBH

  公开号：WO2016128140A1

  公开（公告）日：2016-08-18

  Compounds of Formula I or II in which R1, X1 and X2 have the meanings indicated in claim 1, are MTH1 inhibitors and can be employed, inter alia, in the treatment of cancer.

  具有公式I或II的化合物，其中R1、X1和X2具有权利要求1中所示的含义，是MTH1抑制剂，可以用于治疗癌症。
• Kinetic Resolution of Aminoalkenes by Asymmetric Hydroamination: A Mechanistic Study
  作者：Alexander L. Reznichenko、Frank Hampel、Kai C. Hultzsch

  DOI：10.1002/chem.200902229

  日期：2009.11.23

  complex for 1‐alkylaminopentenes diminishes resolution efficiency. Nevertheless, the relative cyclization rate for the two diastereomeric substrate–catalyst complexes remains in a typical range of 7–10:1. Plausible attractive π interactions between the aryl substituent and either the metal center or the aromatic system of the bis(triarylsilyl)‐substituted binaphtholate ligand may explain increased stability

  使用3，3′-双（三芳基甲硅烷基）取代的邻萘二甲酸稀土金属配合物研究了手性氨基烯烃通过加氢胺化反应的动力学拆分。1-芳基氨基戊烯的拆分具有较高的效率和较高的反式-非对映选择性，而1-烷基氨基戊烯的拆分过程则随着脂肪族取代基的空间需求的增加而降低了拆分效率。通过使用对映纯底物和（R）-或（S）-萘甲酸酯催化剂显示，分离效率的差异源于科廷-汉米特预平衡的变化。尽管1-芳基氨基戊烯偏爱匹配的底物-催化剂配合物，但对于1-烷基氨基戊烯偏爱错配的底物-催化剂配合物却降低了分离效率。然而，两种非对映异构底物-催化剂复合物的相对环化率通常在7-10：1的范围内。芳基取代基与双（三芳基甲硅烷基）取代的邻萘二甲酸酯配体的金属中心或芳族体系之间可能存在的吸引性π相互作用可能解释了匹配的底物-催化剂配合物的稳定性提高。顺便说一句，甲氧基甲基（MOM）取代的氨基戊烯3 g由于MOM取代基的螯合性质，它也表现出对匹
• HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR
  申请人：Grandel Roland

  公开号：US20090306175A1

  公开（公告）日：2009-12-10

  The invention relates to compounds of the formula (I) wherein the variables have meanings given in the claims and the description. The invention also relates to the use of a compound of the formula (I) or a pharmaceutically acceptable salt thereof for preparing a medicament for the treatment of a medical disorder susceptible to the treatment with a 5HT 6 receptor ligand.

  本发明涉及化合物(I)的公式，其中变量的含义在权利要求和说明书中给出。本发明还涉及使用公式(I)的化合物或其药学上可接受的盐来制备用于治疗可通过5HT6受体配体治疗的医学疾患的药物。
• PYRIMIDINE DERIVATIVES
  申请人：Merck Patent GmbH

  公开号：US20180118721A1

  公开（公告）日：2018-05-03

  Compounds of Formula I or II in which R1, X1 and X2 have the meanings indicated in claim 1 , are MTH1 inhibitors and can be employed, inter alia, in the treatment of cancer.
• US8642642B2
  申请人：——

  公开号：US8642642B2

  公开（公告）日：2014-02-04