methyl-3-methylamino-3-phenylpropionate | 31925-48-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl-3-methylamino-3-phenylpropionate
• 英文别名: methyl 3-(methylamino)-3-phenylpropanoate
• CAS: 31925-48-1
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: UJWXABCCNFNPRE-UHFFFAOYSA-N

物化性质

• 沸点：
  283.8±28.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl-3-methylamino-3-phenylpropionate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 3-[(3-Benzyloxycarbonylamino-propionyl)-methyl-amino]-3-phenyl-propionic acid
  参考文献：
  名称：

  Sarfati,R. et al., Bulletin de la Societe Chimique de France, 1971, p. 255 - 263

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 3-甲基氨基-3-苯丙酸 在 氯化亚砜 作用下， 生成 methyl-3-methylamino-3-phenylpropionate
  参考文献：
  名称：

  Sarfati,R. et al., Bulletin de la Societe Chimique de France, 1971, p. 255 - 263

  摘要：

  DOI：

文献信息

• Cyclic diones
  申请人：May & Baker Limited

  公开号：US05114461A1

  公开（公告）日：1992-05-19

  A 2-benzoylcyclic-1,3-dione derivative of the formula: ##STR1## wherein X represents methylene, oxygen, sulphur or --NR.sup.4 --, Y represents --C(R.sup.5) (R.sup.6)-- or oxygen, R.sup.1 represents hydrogen or alkyl optionally substituted by halogen or represents cycloalkyl, R.sup.2 represents hydrogen or R.sup.7 or R.sup.1 and R.sup.2 together represent alkylene, R.sup.3 represents halogen, hydroxy, carboxy, nitro, cyano or amino or carbamoyl (which may be substituted by one or two alkyl groups), alkoxycarbonyl, alkanoyl, or alkanoylamino, R, RO, RS, RSO or RSO.sub.2 in which R represents alkyl optionally substituted by halogen, R.sup.4 represents hydrogen or alkyl or alkoxycarbonyl, R.sup.5 represents hydrogen or alkyl or alkoxycarbonyl, R.sup.6 represents hydrogen or alkyl, R.sup.7 represents alkyl which may be substituted by halogen or alkylthio or by a group (R.sup.8).sub.n -phenyl-S-, or represents cycloalkyl or tetrahydrothiapyran-3-yl or represents a group (R.sup.8).sub.n -phenyl- in which R.sup.8 represents a halogen, hydroxy, carboxy, nitro or cyano, or amino or carbamoyl (which may be substituted by one or two alkyl groups), alkoxycarbonyl or alkanoyl or alkanoylamino or R, RO, RS, RSO or RSO.sub.2 in which R represents alkyl which is optionally substituted by halogen, m is zero or 1 to 5 and n is zero or 1 to 5, provided that when X represents methylene, and Y represents --C(R.sup.5) (R.sup.6)--then R.sup.1 and R.sup.2 do nmot simultaneously represent hydrogen or alkyl and salts thereof are useful as herbicides.

  公式为##STR1##的2-苯甲酰环-1,3-二酮衍生物，其中X代表亚甲基、氧、硫或--NR.sup.4 --，Y代表--C(R.sup.5) (R.sup.6)--或氧，R.sup.1代表氢或烷基，可以选择地被卤素取代，或代表环烷基，R.sup.2代表氢或R.sup.7，或R.sup.1和R.sup.2一起代表烷基，R.sup.3代表卤素、羟基、羧基、硝基、氰基或氨基或羰基（可能被一个或两个烷基取代），烷氧羰基、烷酰基或烷酰氨基，R、RO、RS、RSO或RSO.sub.2中的R代表烷基，可以选择地被卤素取代，R.sup.4代表氢或烷基或烷氧羰基，R.sup.5代表氢或烷基或烷氧羰基，R.sup.6代表氢或烷基，R.sup.7代表烷基，可以被卤素或烷硫基取代，或者由一个基团（R.sup.8).sub.n -苯基-S-取代，或代表环烷基或四氢噻吩-3-基，或代表一个基团（R.sup.8).sub.n -苯基-其中R.sup.8代表卤素、羟基、羧基、硝基或氰基，或氨基或羰基（可能被一个或两个烷基取代），烷氧羰基或烷酰基或烷酰氨基或R、RO、RS、RSO或RSO.sub.2中的R代表烷基，可以选择地被卤素取代，m为零或1至5，n为零或1至5，但当X代表亚甲基，Y代表--C(R.sup.5) (R.sup.6)--时，R.sup.1和R.sup.2不同时代表氢或烷基，其盐可用作除草剂。
• 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Kubota Hideki

  公开号：US20080227785A1

  公开（公告）日：2008-09-18

  This invention relates to an anti-dementia agent which uses a BEC 1 potassium channel inhibitor as the active ingredient. It was proved that the BEC 1 potassium channel inhibitor has an action to improve learning disorder and is useful as a preventive or therapeutic agent for diseases, preferably dementia, in which the BEC 1 potassium channel is considered to be concerned. Illustratively, it was confirmed by an in vivo test that the BEC 1 potassium channel inhibitor has an action to improve learning disorder. Also, it was found that a compound having 2,4,6-triamino-1,3,5-triazine has a BEC 1 potassium channel inhibitory action.

  本发明涉及一种以BEC 1钾离子通道抑制剂作为活性成分的抗痴呆剂。已经证明，BEC 1钾离子通道抑制剂具有改善学习障碍的作用，并且作为预防或治疗剂是有用的，尤其是对于BEC 1钾离子通道与之相关的疾病，如痴呆症。例如，通过体内试验证实，BEC 1钾离子通道抑制剂具有改善学习障碍的作用。此外，还发现具有2,4,6-三氨基-1,3,5-三嗪的化合物具有BEC 1钾离子通道抑制作用。
• Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors
  申请人：Allen George David

  公开号：US20070111995A1

  公开（公告）日：2007-05-17

  The invention provides pyrazolo[3,4-b]pyridine compounds of formula (I) having a —C(O)—NH—C(R 4 )(R 5 )-aryl substituent at the 5-position of the pyrazolo[3,4-b]pyridine ring system wherein at least one of R 4 and R 5 is not a hydrogen atom (H) compound or a salt thereof: wherein Ar has the sub-formula (x) or (z). These compounds are useful as inhibitors of PDE4.

  本发明提供了式(I)的吡唑并[3,4-b]吡啶化合物，其在吡唑并[3,4-b]吡啶环系的5位具有—C(O)—NH—C(R4)(R5)-芳基取代基，其中R4和R5中至少有一个不是氢原子（H）化合物或其盐：其中Ar具有亚式（x）或（z）。这些化合物可用作PDE4的抑制剂。
• INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150038523A1

  公开（公告）日：2015-02-05

  The invention relates to compounds of formula (I): wherein R 1 , R 2 , and n are defined in the detailed description and claims. In particular, the present invention relates to the compounds of formula (I) for use in the manufacture and delivery of conjugated moieties such as small molecules, peptides, nucleic acids, fluorescent moieties, and polymers which are linked to alpha-V-beta-integrin antagonists to target cells expressing alpha-V-beta-3.

  本发明涉及式(I)的化合物，其中R1、R2和n在详细说明和权利要求中有定义。特别地，本发明涉及式(I)的化合物，用于制造和传递与α-V-β整合素拮抗剂连接的共轭基团，如小分子、肽、核酸、荧光基团和聚合物，以靶向表达α-V-β-3的细胞。
• TRIFONOV L. S.; ORAHOVATS A. S., IZV. XIM. B"LG. AN, 1979, 1980, 12, NO 4, 617-622
  作者：TRIFONOV L. S.、 ORAHOVATS A. S.

  DOI：——

  日期：——