3-hydroxyheptan-5-one | 67079-88-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxyheptan-5-one
• 英文别名: 5-hydroxy-3-heptanone；5-hydroxy-heptan-3-one；3-Hydroxy-5-heptanone；5-hydroxyheptan-3-one
• CAS: 67079-88-3
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: NMINIWNPJHHYFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxyheptan-5-one 在 secondary-alcohol oxidase 氧气 作用下， 生成 3,5-庚烷二酮
  参考文献：
  名称：

  Sakai, Kiyofumi; Hamada, Nobutake; Watanabe, Yasuto, Agricultural and Biological Chemistry, 1986, vol. 50, # 4, p. 989 - 996

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-diethyl-1,2-bis-trimethylsilanyloxy-cyclopropane 在 水 、 对甲苯磺酸 作用下， 生成 3-hydroxyheptan-5-one
  参考文献：
  名称：

  Le Goaller,R.; Pierre,J.-L., Canadian Journal of Chemistry, 1978, vol. 56, p. 481 - 486

  摘要：

  DOI：

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS
  申请人：KANDULA Mahesh

  公开号：US20150111932A1

  公开（公告）日：2015-04-23

  The invention relates to the compounds of formula I and formula II or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I or formula II; and methods for treating or preventing neurological degenerative disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of Parkinson's disease (PD), restless legs syndrome (RLS), cluster headache, depression, fibromyalgia, sexual dysfunction, amyotrophic lateral sclerosis (ALS), also known as Lou Gehrig's disease and depression.

  该发明涉及公式I和公式II或其药学上可接受的盐的化合物，以及其多型、溶剂合物、对映体、立体异构体和水合物。含有公式I或公式II化合物的有效量的药物组合物；以及用于治疗或预防神经退行性疾病的方法可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射剂。这种组合物可用于治疗帕金森病（PD）、不安腿综合征（RLS）、集束性头痛、抑郁症、纤维肌痛、性功能障碍、肌萎缩侧索硬化症（ALS），又称路易·盖里格病和抑郁症。
• Vegetables as biocatalysts in stereoselective hydrolysis of labile organic compounds
  作者：Björn Bohman、L. R. Cavonius、C. Rikard Unelius

  DOI：10.1039/b913936b

  日期：——

  Hydrolysis of labile esters of β-hydroxyketones has been performed with whole plant tissue from various vegetables. The pheromone 5-hydroxy-4-methyl-3-heptanone (1) was used as the model compound. Hydrolysis of acetates and benzoates of 1 was unsuccessful using normal conditions of ester hydrolysis, both by chemical hydrolysis and by the means of commercial lipases. When, however, whole cells of carrot, celery root, eggplant, parsley root, parsnip and potato were used as reagents, hydrolysis of the acetates was successful. At low conversion the hydrolysis was stereoselective and at total conversion virtually no formation of by-products was observed. The selectivity varied among the eight vegetables that were evaluated. Methods of preparation and substrate-to-plant ratio were examined. Furthermore, acetates and benzoates of three analogous compounds [5-hydroxy-3-heptanone (2), 5-hydroxy-5-methyl-3-heptanone (3) and 5-ethyl-6-hydroxy-4-octanone (4)] were hydrolyzed by potato and sweet potato to various degrees, indicating that the method is general for the mild and stereoselective hydrolysis of secondary β-alkoxy- and β-aryloxyketones.

  β-羟基酮的不稳定酯的水解已用各种蔬菜的整个植物组织进行。信息素 5-羟基-4-甲基-3-庚酮 (1) 用作模型化合物。使用正常的酯水解条件，无论是通过化学水解还是通过商业脂肪酶，1的乙酸酯和苯甲酸酯的水解均不成功。然而，当使用胡萝卜、芹菜根、茄子、欧芹根、防风草和马铃薯的全细胞作为试剂时，乙酸盐的水解是成功的。在低转化率下，水解是立体选择性的，并且在完全转化率下，几乎没有观察到副产物的形成。所评估的八种蔬菜的选择性各不相同。检查了制备方法和基质与植物的比例。此外，三种类似化合物的乙酸酯和苯甲酸酯[5-羟基-3-庚酮(2)、5-羟基-5-甲基-3-庚酮(3)和5-乙基-6-羟基-4-辛酮(4) ]被马铃薯和甘薯不同程度地水解，表明该方法对于仲β-烷氧基酮和β-芳氧基酮的温和立体选择性水解具有通用性。
• Controlled formation of olefin oligomers using boron trifluoride and a hydroxy carbonyl
  申请人：CHEVRON CHEMICAL COMPANY

  公开号：EP0678493A2

  公开（公告）日：1995-10-25

  An oligomer is made by contacting a straight-chain, α-olefinic monomer with boron trifluoride and a hydroxy carbonyl promoter. The hydroxy carbonyl is preferably a β-hydroxy-ketone, such as 4-hydroxy-4-methyl-2-pentanone. A second promoter can be used in conjunction with the boron trifluoride and the hydroxy carbonyl promoter. Possible secondary promoters include aldehydes, alcohols, alcohol alkoxylates, carboxylic acids, ethers, ketones, and their mixtures. Preferably the oligomer product has a kinematic viscosity at 100° C of less than 1.7 cSt; has a dimer to trimer and higher oligomer ratio of at least 1:1; and is at least 90 wt. % dimer and trimer of the monomer.

  将直链α-烯烃单体与三氟化硼和羟基羰基促进剂接触，可制成低聚物。羟基羰基最好是 β-羟基酮，如 4-羟基-4-甲基-2-戊酮。第二种促进剂可与三氟化硼和羟基羰基促进剂一起使用。可能的第二促进剂包括醛、醇、醇烷氧基化物、羧酸、醚、酮及其混合物。低聚物产品在 100 摄氏度时的运动粘度最好小于 1.7 厘斯；二聚物与三聚物及更高的低聚物之比至少为 1:1；二聚物和三聚物的重量至少占单体的 90%。
• Polyalphaolefin dimers having low kinematic viscosities
  申请人：CHEVRON CHEMICAL COMPANY

  公开号：EP0741120A1

  公开（公告）日：1996-11-06

  A dimer composition has an improved low temperature viscosity if it has less than a certain amount of normal paraffin. A 1-octene dimer should have less than 0.50 wt.% normal hexadecane, a 1-decene dimer should have less than 0.05 wt.% normal eicosane, a 1-dodecene dimer should have less than 0.60 wt.% normal tetracosane, and a 1-tetradecene dimer should have less than 0.10 wt.% normal octacosane.

  如果二聚体组合物中的普通石蜡含量少于一定量，其低温粘度就会得到改善。1-辛烯二聚物中的正十六烷应少于 0.50 重量份，1-癸烯二聚物中的正二十烷应少于 0.05 重量份，1-十二烯二聚物中的正十四烷应少于 0.60 重量份，1-十四烯二聚物中的正十八烷应少于 0.10 重量份。
• METHOD FOR PRODUCING 4,4''-DIHYDROXY-M-TERPHENYLS
  申请人：Honshu Chemical Industry Co., Ltd.

  公开号：EP2851359B1

  公开（公告）日：2017-03-29