(-)-4,5-dimethylhexan-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (-)-4,5-dimethylhexan-2-one
• 英文别名: 4,5-Dimethylhexan-2-one
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: SNHWHSSUBMGTOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (-)-4,5-dimethylhexan-2-one 、 sodium hypobromide 以80%的产率得到
  参考文献：
  名称：

  BECKWITH A. L. J.; MOAD G., AUSTRAL. J. CHEM., 1977, 30, NO 12, 2733-2739

  摘要：

  DOI：
• 作为产物：
  描述：

  Percarbonate de O,O-t-butyle et O-isopropenyle 、 2-甲基丁烷 生成 (-)-4,5-dimethylhexan-2-one
  参考文献：
  名称：

  VILLENAVE, J. -J.;JAOUHARI, R.;FILLIATRE, C.;BARATCHART, M., C.R. ACAD. SCI., 1982, 294, N 16, 977-980

  摘要：

  DOI：

文献信息

• Highly Enantioselective Conjugate Addition of AlMe3 to Linear Aliphatic Enones by a Designed Catalyst
  作者：Paul K. Fraser、Simon Woodward

  DOI：10.1002/chem.200390087

  日期：2003.2.3

  of AlMe(3) to linear aliphatic enones in THF at -40 to -48 degrees C in the presence of [Cu(MeCN)(4)]BF(4). At ligand loadings of 5-20 mol %, enantioselectivities of 80-93 % are realised for most substrates. To attain these values, the use of highly pure AlMe(3) is mandatory. The presence of methylalumoxane (MAO), derived by hydrolysis, leads to reduced enantioselectivity and a conjugate addition product

  2-羟基-2'-烷硫基-1,1'-联萘化合物是在-40至-48℃，在[ Cu（MeCN）（4）] BF（4）。在5-20mol％的配体负载量下，对于大多数底物实现80-93％的对映选择性。为了获得这些值，必须使用高纯度的AlMe（3）。水解衍生的甲基铝氧烷（MAO）的存在会导致对映选择性和共轭加成产物的降低。
• Copper-Catalyzed Enantioselective Conjugate Addition of Grignard Reagents to Acyclic Enones
  作者：Fernando López、Syuzanna R. Harutyunyan、Adriaan J. Minnaard、Ben L. Feringa

  DOI：10.1021/ja046632t

  日期：2004.10.1

  A highly enantioselective Cu-catalyzed addition of Grignard reagents to acyclic aliphatic enones is described. In the presence of 5 mol % of CuBr.SMe2 and 6 mol % of JosiPhos diphosphine aliphatic enones react with Grignard reagents to provide beta-substituted linear ketones with high yields, regio-, and enantioselectivities.

  描述了一种高对映选择性的 Cu 催化将格氏试剂添加到无环脂肪族烯酮中。在 5 mol% 的 CuBr.SMe2 和 6 mol% 的 JosiPhos 二膦脂肪族烯酮存在下，与格氏试剂反应以提供具有高产率、区域选择性和对映选择性的 β 取代线性酮。
• Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors
  申请人：Rodgers D. James

  公开号：US20070135461A1

  公开（公告）日：2007-06-14

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂环取代的吡咯并[2,3-b]吡啶和杂环取代的吡咯并[2,3-b]嘧啶，可以调节雅努斯激酶的活性，并且在治疗与雅努斯激酶活性相关的疾病中具有用处，例如免疫相关疾病、皮肤疾病、髓增生性疾病、癌症和其他疾病。
• N-acetyl amino acid ESTER derivatives of Betulin and preparation method thereof
  申请人：Northeast Forestry University

  公开号：US20150368291A1

  公开（公告）日：2015-12-24

  The present invention disclosed N-acetyl amino acid ester derivatives of betulin and the preparation method thereof, the method comprising the steps that in the presence of an alkaline substance, a catalyst and a racemization-inhibitor, the carboxyl group of N-acetyl amino acid is activated by a coupling agent; and then the activated N-acetyl amino acid is reacted with betulin via esterification reaction to obtain the N-acetyl amino acid ester derivative of betulin. The present invention provided a simple synthesis method to synthesize the N-acetyl amino acid ester derivatives of betulin by using betulin as a precursor compound and modifying the molecular structure of betulin. Such structural modification of betulin significantly enhances the anti-tumor activity of the betulin derivatives and therefore has important values.

  本发明揭示了苯丙醇酸N-乙酰氨基酸酯衍生物及其制备方法，所述方法包括以下步骤：在碱性物质、催化剂和消旋抑制剂存在下，通过偶联试剂活化N-乙酰氨基酸的羧基；然后将活化的N-乙酰氨基酸与苯丙醇酸酯化反应，得到苯丙醇酸N-乙酰氨基酸酯衍生物。本发明提供了一种简单的合成方法，通过使用苯丙醇酸作为前体化合物并修改苯丙醇酸的分子结构，合成了苯丙醇酸N-乙酰氨基酸酯衍生物。这种对苯丙醇酸的结构修饰显著增强了苯丙醇酸衍生物的抗肿瘤活性，具有重要价值。
• AMINOTHIAZOLE DERIVATIVE
  申请人：Yabuuchi Tetsuya

  公开号：US20120220767A1

  公开（公告）日：2012-08-30

  A compound represented by formula (1) or a pharmaceutically acceptable salt thereof, which has a PI3 kinase γ inhibitory effect and is useful as a prophylactic or therapeutic agent for articular rheumatism, Crohn's disease, irritable colitis, Sjoegren's syndrome, multiple sclerosis, systemic lupus erythematosus, asthma, atopic dermatitis, arteriosclerosis, organ transplant rejection, cancer, retinopathy, psoriasis, arthrosis deformans, age-related macular degeneration, type II diabetes, insulin resistance, obesity, non-alcoholic fatty liver disease (NAFLD), non-alcoholic steatohepatitis (NASH), hyperlipemia, etc.

  由式（1）表示的化合物或其药学上可接受的盐，具有PI3激酶γ抑制作用，可用作关节风湿、克罗恩病、肠易激综合征、干燥综合征、多发性硬化、系统性红斑狼疮、哮喘、特应性皮炎、动脉硬化、器官移植排斥、癌症、视网膜病变、牛皮癣、关节病变、年龄相关性黄斑变性、2型糖尿病、胰岛素抵抗、肥胖、非酒精性脂肪肝病（NAFLD）、非酒精性脂肪性肝炎（NASH）、高脂血症等疾病的预防或治疗剂。