tert-butyl (R)-4-methyl-2-oxopyrrolidine-1-carboxylate | 259857-52-8

• 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: tert-butyl (R)-4-methyl-2-oxopyrrolidine-1-carboxylate
• 英文别名: 1,1-Dimethylethyl (4R)-4-methyl-2-oxo-1-pyrrolidinecarboxylate；tert-butyl (4R)-4-methyl-2-oxopyrrolidine-1-carboxylate
• CAS: 259857-52-8
• 化学式: C₁₀H₁₇NO₃
• 分子量: 199.25
• InChiKey: IFGUVHBGNIDWDJ-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (R)-4-methyl-2-oxopyrrolidine-1-carboxylate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以89%的产率得到N-BOC-4-氨基-3-甲基-丁酸
  参考文献：
  名称：

  Enantioselective Preparation of γ ‐Amino Acids and γ ‐Lactams from Nitro Olefins and Carboxylic Acids, with the Valine‐Derived 4‐Isopropyl‐5,5‐diphenyl‐1,3‐oxazolidin‐2‐one as an Auxiliary

  摘要：

  DOI：

  10.1002/(sici)1522-2675(19991215)82:12<2365::aid-hlca2365>3.0.co;2-#
• 作为产物：
  描述：

  (S)-4-isopropyl-3-[(R)-3-methyl-4-nitrobutanoyl]-5,5-diphenyloxazolidin-2-one 在 镍 4-二甲氨基吡啶 、 氢气 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 19.0h， 生成 tert-butyl (R)-4-methyl-2-oxopyrrolidine-1-carboxylate
  参考文献：
  名称：

  Enantioselective Preparation of γ ‐Amino Acids and γ ‐Lactams from Nitro Olefins and Carboxylic Acids, with the Valine‐Derived 4‐Isopropyl‐5,5‐diphenyl‐1,3‐oxazolidin‐2‐one as an Auxiliary

  摘要：

  DOI：

  10.1002/(sici)1522-2675(19991215)82:12<2365::aid-hlca2365>3.0.co;2-#

文献信息

• COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS
  申请人：Fan Yi

  公开号：US20120065184A1

  公开（公告）日：2012-03-15

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated TRK kinase activity.

  该发明提供了化合物、包含该化合物的药物组合物以及使用该化合物治疗或预防与TRK激酶活性异常或失调相关的疾病或病症的方法。
• FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS
  申请人：HANDOK INC.

  公开号：US20160168156A1

  公开（公告）日：2016-06-16

  The disclosure provides novel chemical compounds represented by Formula I or a pharmaceutically acceptable salt, solvate, polymorph, ester, tautomer or prodrug thereof. The compounds can be used as an inhibitor of Trk and are useful in the treatment of pain, cancer, inflammation, neurodegenerative disease and certain infectious diseases. In some compounds of Formula I, Q is —CH═CR 3 C(O)NR 4 R 5 , —C≡CC(O)NR 4 R 5 , or

  该披露提供了由化学式I或其药用可接受的盐、溶剂化合物、多型体、酯、互变异构体或前药表示的新型化合物。这些化合物可用作Trk的抑制剂，并且在治疗疼痛、癌症、炎症、神经退行性疾病和某些传染病方面是有用的。 在化合物I的某些化合物中，Q为—CH═CR3C(O)NR4R5，—C≡CC(O)NR4R5，或...
• [EN] LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2<br/>[FR] DÉRIVÉS DE PYRIMIDINE À FUSION HÉTÉROARYLE LACTAME SERVANT D'INHIBITEURS D'ERBB2
  申请人：ENLIVEN THERAPEUTICS INC

  公开号：WO2022140769A1

  公开（公告）日：2022-06-30

  The present disclosure relates generally to compounds and compositions thereof for inhibition of ErbB2, including mutant forms of ErbB2, particularly those harboring an Exon 20 mutation, methods of preparing said compounds and compositions, and their use in the treatment or prophylaxis of various cancers, such as lung, glioma, skin, head neck, salivary gland, breast, esophageal, liver, stomach (gastric), uterine, cervical, biliary tract, pancreatic, colorectal, renal, bladder or prostate cancer.

  本公开涉及抑制ErbB2的化合物及其组合物，包括突变形式的ErbB2，特别是那些携带Exon 20突变的形式，制备这些化合物和组合物的方法，以及它们在治疗或预防各种癌症方面的用途，如肺癌、胶质瘤、皮肤癌、头颈癌、唾液腺癌、乳腺癌、食管癌、肝癌、胃癌、子宫癌、宫颈癌、胆道癌、胰腺癌、结肠直肠癌、肾癌、膀胱癌或前列腺癌。
• The synthesis of aracemic 4-substituted pyrrolidinones and 3-substituted pyrrolidines. An asymmetric synthesis of (-)-rolipram
  作者：A. I. Meyers、Lawrence Snyder

  DOI：10.1021/jo00053a012

  日期：1993.1

  Conjugate additions of RCuCNLi to the chiral alpha,beta-unsaturated lactam 4 gives almost exclusive exo addition-a reversal in stereochemistry when cuprates were added to chiral lactam 1. The lactams 5 were transformed into 4-substituted pyrrolidinones 8 via a three-step sequence which involved decarbalkoxylation, silane reduction and metal-ammonia benzylamine cleavage. The chemical yields as well as the enantiomeric purity were very high for this process. As an example of the usefulness of this scheme, the antidepressant (-)-Rolipram was prepared in good overall yield. Furthermore, the bicyclic lactams 6 were readily transformed, using alane as the reducing agent, to 3-substituted pyrrolidines 11. Absolute configurations of 8 and 11 were confirmed by comparison with literature assignments which also gave strong support to the facial addition of the cuprates to 4.
• US8637516B2
  申请人：——

  公开号：US8637516B2

  公开（公告）日：2014-01-28