(S)-4-苄基-3-甲基-1,3-恶唑烷-2-酮 | 677341-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: (S)-4-苄基-3-甲基-1,3-恶唑烷-2-酮
• 英文名称: (S)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
• 英文别名: N-methyl-4(S)-benzyl-oxazolidin-2-one；(4S)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
• CAS: 677341-21-8
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: CAXLCRGKHDWKRY-JTQLQIEISA-N

物化性质

• 沸点：
  372.9±11.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-4-苄基-3-甲基-1,3-恶唑烷-2-酮 在 硝酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-噁唑烷酮,3-甲基-4-[(4-硝基苯基)甲基]-,(S)-
  参考文献：
  名称：

  Design, synthesis, and evaluation of 4-(4′-aminobenzyl)-2-oxazolidinones as novel inhibitors of the cytochrome P-450 enzyme aromatase

  摘要：

  The synthesis of a series of N-alkylated 4-(4'aminobenzyl)-2-oxazolidinones is described using a synthetically useful scheme which avoids the use of phosgene-since the derivatization is undertaken with the oxazolidin-2-one ring intact. The compounds were tested for human placental aromatase (AR) inhibition in vitro, using [1beta, 2beta-H-3]androstenedione as substrate for the AR enzyme. The compounds were found, in general, to be more potent than the standard compound, aminoglutethimide (AG), and as such proved to be good lead compounds in the search for more specific AR inhibitors. (C) 2002 Elsevier Science (USA). All rights reserved.

  DOI：

  10.1016/s0045-2068(02)00017-2
• 作为产物：
  描述：

  (S)-4-苄基-2-唑烷酮 、 碘甲烷 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-4-苄基-3-甲基-1,3-恶唑烷-2-酮
  参考文献：
  名称：

  Ring Opening Reactions ofN-Alkyl Oxazolidinones with Organolithium Reagents

  摘要：

  将初级、次级和芳基有机锂试剂添加到N-甲基和N-苄基氧杂环己烷-2-酮中，可获得N-酰基氨基醇，产率为30%-93%。演示了其在合成咪唑基氧杂烯中的应用。

  DOI：

  10.1055/s-2003-44972

文献信息

• INHIBITORS OF CAMKK2 AND USES OF SAME
  申请人：New York University

  公开号：US20200369656A1

  公开（公告）日：2020-11-26

  The present disclosure provides compounds suitable for inhibiting CaMKK2. Also provided are compositions and methods of treating diseases associated with CaMKK2.

  本公开提供适用于抑制CaMKK2的化合物。还提供了与CaMKK2相关疾病的治疗方法和组合物。
• [EN] PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ÉRIBULINE ET DE SES INTERMÉDIAIRES
  申请人：DR REDDY'S LABORATORIES LTD

  公开号：WO2017203459A1

  公开（公告）日：2017-11-30

  The present application relate to a process for preparation of 4-Methylene tetrahydrofuran compound of formula II, which is useful as an intermediate for the preparation of halichondrin B analogues such as Eribulin.

  本申请涉及一种用于制备4-亚甲基四氢呋喃化合物（化学式II）的过程，该化合物可用作制备卤呋喃B类似物（如厄立布林）的中间体。
• Synthesis of carboxylic amides by ring-opening of oxazolidinones with Grignard reagents
  作者：David Bensa、Iain Coldham、Pia Feinäugle、Ravindra B. Pathak、Roger J. Butlin

  DOI：10.1039/b800849c

  日期：——

  including allyl, benzyl, alkyl and phenyl magnesium halides. The organomagnesium species attacks the carbonyl group and promotes ring-opening of the oxazolidinone. The product tertiary amides are useful substrates for stereoselective transformations and were applied to a highly selective enolate alkylation and to a ring-closing metathesis reaction to a six-membered lactam and hence a formal synthesis of the

  用格氏试剂处理N-烷基-恶唑烷-2-酮可得到叔羧酸酰胺产物。可以使用各种取代的恶唑烷酮，如在4-位上具有苯基，苄基或异丙基，在3-位（氮原子）上具有甲基，苄基或对甲氧基苄基所示。成功选择了格氏试剂，包括烯丙基，苄基，烷基和苯基卤化镁。有机镁物质攻击羰基并促进恶唑烷酮的开环。产物叔酰胺是用于立体选择性转化的有用底物，并用于高度选择性的烯醇烷基化和六元内酰胺的闭环易位反应，从而正式合成生物碱（-）-丝氨酸和（+） -stenusine。
• PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF
  申请人：DR. REDDY'S LABORATORIES LIMITED

  公开号：US20190276470A1

  公开（公告）日：2019-09-12

  The present application relate to process for preparation of tetrahydrofuran compound of formula II, 4-Methylene tetrahydrofuran compound of formula V and tetrahydropyran compound of formula IX which are useful as intermediates for the preparation of halichondrin B analogues such as Eribulin or its pharmaceutically acceptable salts.

  本申请涉及制备式II的四氢呋喃化合物、式V的4-亚甲基四氢呋喃化合物和式IX的四氢吡喃化合物的工艺，它们是制备半乳糖霉素B类似物如依立必利或其药学上可接受的盐的中间体。
• PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US20170204065A1

  公开（公告）日：2017-07-20

  Described are processes for the synthesis of certain compounds, useful for treating diseases, e.g. eye disease, such as glaucoma and ocular hypertension, in a subject.

  本文描述了一些合成特定化合物的过程，这些化合物可用于治疗一些疾病，例如眼病，如青光眼和眼压增高，适用于治疗患者。