methyl N-(4-chlorophenyl)-N-methylglycinate | 787575-80-8

• 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 N-(4-chlorophenyl)-N-methylglycinate
• 英文别名: methyl 2-(4-chloro-N-methylanilino)acetate
• CAS: 787575-80-8
• 化学式: C₁₀H₁₂ClNO₂
• 分子量: 213.664
• InChiKey: XCTZNSZKKLRQHT-UHFFFAOYSA-N

物化性质

• 沸点：
  303.6±22.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl N-(4-chlorophenyl)-N-methylglycinate 在 lithium hydroxide monohydrate 作用下， 以 水 为溶剂， 生成 N-(4-chlorophenyl)-N-methylglycine
  参考文献：
  名称：

  [EN] NOVEL THIADIAZOLYL DERIVATIVES OF DNA POLYMERASE THETA INHIBITORS
  [FR] NOUVEAUX DÉRIVÉS DU TYPE THIADIAZOLYLE D'INHIBITEURS DE L'ADN POLYMÉRASE THÊTA

  摘要：

  Poly theta inhibitor (I), X is -N-or -C-; ring A is phenyl or a five to ten membered heteroaryl ring containing, inclusive of X, one to four heteroatoms independently selected from nitrogen, oxygen, or sulfur, Ar1 is phenyl, heteroaryl, heterocyclyl, bicyclic heterocyclyl, bridged heterocyclyl, or spiroheterocyclyl, wherein each of the aforementioned ring is substituted with Ra, Rb, and/or Rc,wherein Ra and Rb are independently selected from hydrogen, alkyl, halo, haloalkyl, alkoxy, haloalkoxy, cycloalkyloxy, acyl, acylamino, monoalkylamino, dialkylamino, alkylsulfonyl,cyano, and hydroxy; or Ra and Rb, when on adjacent ring vertices, combine to form a C3-6 cycloalkyl, or Ra and Rb, when on the same ring vertex, combine to form oxo, and Rc is selected from hydrogen, alkyl, halo, haloalkyl, alkoxy, haloalkoxy, hydroxy, hydroxyalkyl, alkoxyalkyl, aminoalkyl, heterocyclylalkyl, heterocyclyloxy, aminocarbonyl; Ar2 is phenyl, heteroaryl, or cycloalkyl, wherein said phenyl and heteroaryl are substituted with Rd, Re and/or Rf, wherein Rd and Re are independently selected from hydrogen, alkyl, halo, haloalkyl, alkoxy, haloalkoxy, hydroxy, and cyano and Rf is selected from hydrogen, alkyl, cycloalkyl, halo, haloalkyl, alkoxy, haloalkoxy, hydroxy, cyano, cyanomethyl, aminocarbonylmethyl, heteroaryl, and heterocyclyl, wherein said heteroaryl and heterocyclyl of Rf are unsubstituted or substituted with one, two, or three substituents independently selected from alkyl, halo, haloalkyl, and hydroxy; R1 is hydrogen, alkyl, halo, haloalkyl, haloalkoxy, alkoxy, hydroxy, cyano, cyanoalkyl,carboxy, alkoxycarbonyl, acylamino, aminocarbonyl optionally substituted heteroaryl, hydroxyalkyl, cycloalkyl, hydroxyalkynyl, alkoxyalkyl, aminoalkyl, aminocarbonylalkyl,sulfonylalkyl, aminosulfonylalkyl, optionally substituted heteroaralkyl, or optionally substituted heterocyclylalkyl; and R2 is hydrogen, alkyl, halo, haloalkyl, haloalkoxy, or cyano; Y is O or S or NH or NRg, Rg is a C1 to C3 aliphatic group; R3 and R4 are H, C1-6 aliphatic group.

  公开号：

  WO2023060573A1
• 作为产物：
  描述：

  对氯苯胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 24.0h， 生成 methyl N-(4-chlorophenyl)-N-methylglycinate
  参考文献：
  名称：

  [EN] NOVEL THIADIAZOLYL DERIVATIVES OF DNA POLYMERASE THETA INHIBITORS
  [FR] NOUVEAUX DÉRIVÉS DU TYPE THIADIAZOLYLE D'INHIBITEURS DE L'ADN POLYMÉRASE THÊTA

  摘要：

  Poly theta inhibitor (I), X is -N-or -C-; ring A is phenyl or a five to ten membered heteroaryl ring containing, inclusive of X, one to four heteroatoms independently selected from nitrogen, oxygen, or sulfur, Ar1 is phenyl, heteroaryl, heterocyclyl, bicyclic heterocyclyl, bridged heterocyclyl, or spiroheterocyclyl, wherein each of the aforementioned ring is substituted with Ra, Rb, and/or Rc,wherein Ra and Rb are independently selected from hydrogen, alkyl, halo, haloalkyl, alkoxy, haloalkoxy, cycloalkyloxy, acyl, acylamino, monoalkylamino, dialkylamino, alkylsulfonyl,cyano, and hydroxy; or Ra and Rb, when on adjacent ring vertices, combine to form a C3-6 cycloalkyl, or Ra and Rb, when on the same ring vertex, combine to form oxo, and Rc is selected from hydrogen, alkyl, halo, haloalkyl, alkoxy, haloalkoxy, hydroxy, hydroxyalkyl, alkoxyalkyl, aminoalkyl, heterocyclylalkyl, heterocyclyloxy, aminocarbonyl; Ar2 is phenyl, heteroaryl, or cycloalkyl, wherein said phenyl and heteroaryl are substituted with Rd, Re and/or Rf, wherein Rd and Re are independently selected from hydrogen, alkyl, halo, haloalkyl, alkoxy, haloalkoxy, hydroxy, and cyano and Rf is selected from hydrogen, alkyl, cycloalkyl, halo, haloalkyl, alkoxy, haloalkoxy, hydroxy, cyano, cyanomethyl, aminocarbonylmethyl, heteroaryl, and heterocyclyl, wherein said heteroaryl and heterocyclyl of Rf are unsubstituted or substituted with one, two, or three substituents independently selected from alkyl, halo, haloalkyl, and hydroxy; R1 is hydrogen, alkyl, halo, haloalkyl, haloalkoxy, alkoxy, hydroxy, cyano, cyanoalkyl,carboxy, alkoxycarbonyl, acylamino, aminocarbonyl optionally substituted heteroaryl, hydroxyalkyl, cycloalkyl, hydroxyalkynyl, alkoxyalkyl, aminoalkyl, aminocarbonylalkyl,sulfonylalkyl, aminosulfonylalkyl, optionally substituted heteroaralkyl, or optionally substituted heterocyclylalkyl; and R2 is hydrogen, alkyl, halo, haloalkyl, haloalkoxy, or cyano; Y is O or S or NH or NRg, Rg is a C1 to C3 aliphatic group; R3 and R4 are H, C1-6 aliphatic group.

  公开号：

  WO2023060573A1

文献信息

• [EN] ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B)<br/>[FR] UTILISATION D'AMIDES D'ACIDE ISOQUINOLINE-5-SULFONIQUE COMME INHIBITEURS DE L'AKT (PROTEINE KINASE B)
  申请人：LILLY CO ELI

  公开号：WO2004094386A1

  公开（公告）日：2004-11-04

  The present invention relates to compounds Formula (I): as inhibitors of AKT activity, which are useful for the treatment of susceptible neoplasms and viral infections.

  本发明涉及化合物式(I)：作为AKT活性抑制剂，对易感肿瘤和病毒感染的治疗有用。
• Transition-metal-free decarboxylation of dimethyl malonate: an efficient construction of α-amino acid esters using TBAI/TBHP
  作者：Jie Zhang、Ying Shao、Yaxiong Wang、Huihuang Li、Dongmei Xu、Xiaobing Wan

  DOI：10.1039/c5ob00109a

  日期：——

  A new strategy has been developed for the synthesis of α-amino acid esters via a tandem hydrolysis/decarboxylation/nucleophilic substitution using TBAI/TBHP.

  已开发出一种新的策略，通过使用TBAI/TBHP进行串联水解/脱羧/亲核取代合成α-氨基酸酯。
• Inhibitors of akt (protein kinase b)
  申请人：Al-Awar Salim Rima

  公开号：US20070043040A1

  公开（公告）日：2007-02-22

  The present invention relates to compounds Formula (I): as inhibitors of AKT activity, which are useful for the treatment of susceptible neoplasms and viral infections.

  本发明涉及化合物式(I)：作为AKT活性抑制剂，可用于治疗易感性肿瘤和病毒感染。
• 一种可见光催化合成丁二羧酸酯衍生物的方法
  申请人：常州大学

  公开号：CN117736104A

  公开（公告）日：2024-03-22

  本发明公开了一种可见光催化合成丁二羧酸酯衍生物的方法，属于化学制药和精细化工制备技术领域。本发明以各种取代的芳基重氮乙酸酯和氨基乙酸酯为原料，在蓝光照射下发生重排反应得到所需的丁二羧酸酯衍生物。此反应条件温和，操作简便。本发明为丁二羧酸酯衍生物的制备提供了一条简捷而实用的技术路线，在化学制药和精细化工制备技术领域具有广泛的应用。
• A New Strategy for the Construction of α-Amino Acid Esters via Decarboxylation
  作者：Jie Zhang、Jiewen Jiang、Yuling Li、Yun Zhao、Xiaobing Wan

  DOI：10.1021/ol401139m

  日期：2013.7.5

  A new alpha-amino acid esters formation reaction has been developed via decarboxylation. The methodology is distinguished by its practical novelty in terms of the readily accessible starting materials, environmentally benign reaction conditions and waste streams, and wide substrate scope.