E-methyl-3 heptene-3 one-2 | 75343-94-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: E-methyl-3 heptene-3 one-2
• 英文别名: 3-methyl-3-hepten-2-one；3-methylhept-3-en-2-one；3-methyl-hept-3-en-2-one；3-Methyl-hept-3-en-2-on；(E)-3-methylhept-3-en-2-one
• CAS: 75343-94-1
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: IZBMUZVSTLWUTH-VOTSOKGWSA-N

物化性质

• 沸点：
  179.3±9.0 °C(Predicted)
• 密度：
  0.835±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  E-methyl-3 heptene-3 one-2 在 乙醚 、 氢气 、 sodium 、 镍 、 碳酸氢钠 作用下， 生成 3-甲基-2-庚醇
  参考文献：
  名称：

  Powell, Journal of the American Chemical Society, 1924, vol. 46, p. 2516

  摘要：

  DOI：
• 作为产物：
  描述：

  反式-2-甲基-2-丁烯醛 在 镍 硫酸 、 氢气 、 锌 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 E-methyl-3 heptene-3 one-2
  参考文献：
  名称：

  Dana, Gilbert; Gharbi-Benarous, Josyane; Thuan, Sa Le Thi, Canadian Journal of Chemistry, 1980, vol. 58, # 14, p. 1451 - 1462

  摘要：

  DOI：

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：GIVAUDAN SA

  公开号：WO2021102896A1

  公开（公告）日：2021-06-03

  Disclosed are TRPM8 modulators as defined by formula (I) for achieving a cooling effect on skin and mucousa.

  公开了根据式(I)定义的TRPM8调节剂，用于在皮肤和粘膜上实现降温效果。
• Aldol condensations of aldehydes and ketones catalyzed by rare earth(III) perfluorooctane sulfonates in fluorous solvents
  作者：Wen-Bin Yi、Chun Cai

  DOI：10.1016/j.jfluchem.2005.09.004

  日期：2005.12

  Rare earth(III) perfluorooctane sulfonates (RE(OPf)3) catalyze the efficient aldol condensation of different ketones with various aromatic aldehydes in fluorous solvents without the occurrence of any self-condensations. By simple separation of the fluorous phase containing only catalyst, reaction can be repeated several times.

  稀土（III）全氟辛烷磺酸盐（RE（OPf）3）在氟溶剂中催化不同酮与各种芳族醛的有效羟醛缩合反应，而不会发生任何自缩合反应。通过仅含催化剂的氟相的简单分离，反应可重复数次。
• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：FUJII Nobuhiro

  公开号：US20090227561A1

  公开（公告）日：2009-09-10

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product. The present invention provides a compound represented by the formula wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR 1 (R 1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R 2 is carbamoyl optionally having substituent(s); and R 3 is hydroxy optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有优异的Smo抑制活性和较低毒性的化合物，该化合物作为药物产品是完全令人满意的。本发明提供了一种由下式表示的化合物： 其中，环A是5-至7-成员环，可选择地具有取代基，其中取代基可选择地与彼此结合形成环；X是O、S或NR1（R1是氢原子或具有取代基的碳氢基团）；R2是氨基甲酰，可选择地具有取代基；R3是羟基，可选择地具有取代基，或其盐。
• Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them
  申请人：TEIJIN LIMITED

  公开号：EP0019475A2

  公开（公告）日：1980-11-26

  Novel 7-hydroxyprostaglandins E1, or stereoisomers thereof, or protected derivatives thereof, having the following formula: wherein R3 represents H, CH3 or C2H5, R9 represents H or CH3, R10 and R are identical or different, and each represents H, tetrahydropyranyl or t-butyldimethylsilyl. Also provided is a process for producing adjacently disubstituted ketones including the above novel compounds, which process comprises reacting an a, #-unsaturated carbonyl compound with a cuprous salt and an organolithium compound in an aprotic inert organic medium in the presence of trialkylphosphine, the amounts of said cuprous salt and said organolithium compound being substantially equimolar, and reacting the product with a protected acetal derivative of an organic carbonyl compound or an aldehyde in the presence of a Lewis acid if necessary followed by reacting the product with a proton donor.

  具有下式的新型 7-羟基前列腺素 E1 或其立体异构体或其保护衍生物： 其中 R3 代表 H、CH3 或 C2H5，R9 代表 H 或 CH3，R10 和 R 相同或不同，且各自代表 H、四氢吡喃基或叔丁基二甲基硅基。 还提供了一种生产包括上述新型化合物在内的邻接二取代酮的工艺，该工艺包括在三 烷基膦存在下，在氩惰性有机介质中使 a，#-不饱和羰基化合物与亚铜盐和有机锂化合物 反应、所述亚铜盐和所述有机锂化合物的量基本等摩尔，必要时在路易斯酸存在下，使产物与有机羰基化合物或醛的受保护缩醛衍生物反应，然后使产物与质子供体反应。
• Aldol condensation reaction and catalyst therefor
  申请人：Imperial Chemical Industries PLC.

  公开号：US20030144556A1

  公开（公告）日：2003-07-31

  Production of unsaturated ketones by the aldol condensation of ketones such as acetone or methyl ethyl ketone by contacting the ketone in the vapour phase with a particulate catalyst comprising at least one basic alkali metal compound supported on an inert substrate at a temperature above 175° C. The produce ketones may be hydrogenated to form saturated ketones or alcohols.

  通过丙酮或甲乙酮等酮类的醛醇缩合反应生产不饱和酮，方法是在温度高于 175 摄氏度的条件下，将气相中的酮与由至少一种支撑在惰性基底上的碱性碱金属化合物组成的颗粒催化剂接触。

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