1-Acetyl-3-methyladamantan | 42825-01-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Acetyl-3-methyladamantan
• 英文别名: 1-acetyl-3-methyladamantane；1-(3-Methyl-1-adamantyl)ethanone
• CAS: 42825-01-4
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: PWPUPNHFAVTJLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 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：

  1-methyladamantane 、 2,3-丁二酮 以 二氯甲烷 为溶剂， 生成 1-Acetyl-3-methyladamantan
  参考文献：
  名称：

  Mechanism of photoacetylation of substituted adamantanes

  摘要：

  DOI：

  10.1021/jo00406a014

文献信息

• ADAMANTANEMETHANOL DERIVATIVES AND PRODUCTION PROCESSES THEREOF
  申请人：——

  公开号：US20020016516A1

  公开（公告）日：2002-02-07

  An adamantanemethanol derivative of the invention is represented by the following formula (1), wherein R a is a hydrogen atom or a hydrocarbon group; R b is a hydrocarbon group having a carbon atom, to which carbon atom at least one hydrogen atom is bonded, at a bonding site with the adjacent carbon atom; R c , R d and R e are each a hydrogen atom, a hydroxyl group which may be protected by a protective group or the like; provided that a hydroxyl group protected by a protective group or the like is bonded to at least one carbon atom constituting the adamantane skeleton when R a is a hydrogen atom or a methyl group and R b is a methyl group; and at least one substituent, in addition to the HO—C(R a ) (R b )— group indicated in the formula (1), is bonded to the adamantane ring when one of R a and R b is a methyl group and the other is an ethyl group. 1

  该发明的一种金刚烷甲醇衍生物由以下公式（1）表示，其中R是氢原子或烃基；Rb是具有碳原子的烃基，在与相邻碳原子的结合位点上至少与一个氢原子键合；Rc、Rd和Re分别是氢原子、羟基或被保护基团等；前提是当R为氢原子或甲基基团，Rb为甲基基团时，至少一个被保护羟基或类似物被键合到构成金刚烷骨架的至少一个碳原子上；当Ra和Rb中有一个为甲基基团，另一个为乙基基团时，除公式（1）中指示的HO—C（Ra）（Rb）基团外，至少有一个取代基键合到金刚烷环上。
• ADAMANTANEMETHANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP0990632A1

  公开（公告）日：2000-04-05

  An adamantanemethanol derivative of the invention is represented by the following formula (1), wherein Ra is a hydrogen atom or a hydrocarbon group; Rb is a hydrocarbon group having a carbon atom, to which carbon atom at least one hydrogen atom is bonded, at a bonding site with the adjacent carbon atom; Rc, Rd and Re are each a hydrogen atom, a hydroxyl group which may be protected by a protective group or the like; provided that a hydroxyl group protected by a protective group or the like is bonded to at least one carbon atom constituting the adamantane skeleton when Ra is a hydrogen atom or a methyl group and Rb is a methyl group; and at least one substituent, in addition to the HO-C(Ra)(Rb)- group indicated in the formula (1), is bonded to the adamantane ring when one of Ra and Rb is a methyl group and the other is an ethyl group.

  本发明的一种金刚烷甲醇衍生物由下式（1）表示，其中 Ra 是氢原子或烃基；Rb 是烃基，其上有一个碳原子，该碳原子上至少有一个氢原子与相邻碳原子的键合部位成键；Rc、Rd 和 Re 各为一个氢原子、一个羟基，该羟基可能受保护基团或类似基团的保护；条件是，当 Ra 为氢原子或甲基且 Rb 为甲基时，受保护基团或类似基团保护的羟基与构成金刚烷骨架的至少一个碳原子键合；当 Ra 和 Rb 中一个为甲基且另一个为乙基时，除式（1）中所示的 HO-C(Ra)(Rb)- 基团外，至少一个取代基与金刚烷环键合。
• MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4
  申请人：Elan Pharmaceuticals, Inc.

  公开号：EP1144364A2

  公开（公告）日：2001-10-17
• US6344590B1
  申请人：——

  公开号：US6344590B1

  公开（公告）日：2002-02-05
• [EN] MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4<br/>[FR] COMPOSES INHIBANT L'ADHESION LEUCOCYTAIRE PROVOQUEE PAR VLA-4
  申请人：ELAN PHARM INC

  公开号：WO2000043354A2

  公开（公告）日：2000-07-27

  Disclosed are compounds which bind VLA-4. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.