3-甲基-2-己酮 | 79980-77-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲基-2-己酮
• 中文别名: 丁一醇,2-(4-硝基苯基)-
• 英文名称: (S)-(+)-3-methylhexan-2-one
• 英文别名: (S)-3-methyl-2-hexanone；(3S)-3-methylhexan-2-one
• CAS: 79980-77-1
• 化学式: C₇H₁₄O
• 分子量: 114.188
• InChiKey: GYWYASONLSQZBB-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  反式-3-甲基-3-己烯-2-酮 在 air 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 以80%的产率得到3-甲基-2-己酮
  参考文献：
  名称：

  Kergomard, A.; Renard, M. F.; Veschambre, H., Agricultural and Biological Chemistry, 1982, vol. 46, # 1, p. 97 - 100

  摘要：

  DOI：

文献信息

• ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF
  申请人：Medarex, Inc.

  公开号：US20130189256A1

  公开（公告）日：2013-07-25

  Antiproliferative compounds having a structure represented by formula (II), where n, R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein, can be used to treat tumors, optionally when conjugated to a ligand such as an antibody:

  具有结构式（II）所表示的抗增殖化合物，其中n、R1、R2、R3、R4和R5的定义如本文所述，可以用于治疗肿瘤，可选择与配体如抗体结合使用。
• Use of immunomodulatory compounds
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2039361A2

  公开（公告）日：2009-03-25

  The present invention is directed to methods of treating diseases and disorders related to immune responses by administering one or more immunomodulatory compounds. In particular, the invention is directed to methods of stimulating and reducing immune responses, treating autoimmune conditions, treating allergic reactions and asthma, and preventing ischemic damage and asthma by administering one or more immunomodulatory compounds.

  本发明涉及通过施用一种或多种免疫调节化合物治疗与免疫反应有关的疾病和失调的方法。特别是，本发明涉及通过施用一种或多种免疫调节化合物来刺激和减少免疫反应、治疗自身免疫疾病、治疗过敏反应和哮喘以及预防缺血性损伤和哮喘的方法。
• Baker's yeast reduction of α-methyleneketones
  作者：Ezequias P. Siqueira Filho、J.Augusto R. Rodrigues、Paulo J.S. Moran

  DOI：10.1016/s0957-4166(01)00134-3

  日期：2001.4

  The bioreduction of alpha -methyleneketones. (RC)-C-1(-O)C(-CH2)R-2 (R-1= Me, Et, Pr, iso-Bu, Ph. CH2CH2Ph: R-2 =Cl, Me, Et, n-Pr, iso-Pr. n-Bu, n-C6H13, Ph, CH2Ph), was mediated by baker's yeast (Saccharomyees cerevisiae) to obtain the corresponding alpha -methylkelones. The R-1 and R-2 groups had a significant influence on the rate and enantioselectivity of the reductions. The rate or C-C bond reduction was higher than that of C-O bond reduction. Only alpha -methyleneketones having R-1 = Me yielded alpha -methylketones in high enantioselectivity with e.e.s of 88-99%. (C) 2001 Elsevier Science Ltd, All rights reserved.
• Microbiological reduction of .alpha.,.beta.-unsaturated ketones by Beauveria sulfurescens
  作者：A. Kergomard、M. F. Renard、H. Veschambre

  DOI：10.1021/jo00344a009

  日期：1982.2
• PARTICLES
  申请人：Imperial Innovations Limited

  公开号：EP1957038B1

  公开（公告）日：2011-05-04