1-甲氧基-5-甲基己-2-炔-4-酮 | 82724-80-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-甲氧基-5-甲基己-2-炔-4-酮
• 英文名称: 1-methoxy-5-methylhex-2-yn-4-one
• 英文别名: 6-methoxy-2-methylhex-4-yn-3-one
• CAS: 82724-80-9
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: OCCYYBMWBZSPLB-UHFFFAOYSA-N

物化性质

• 沸点：
  184.6±42.0 °C(Predicted)
• 密度：
  0.948±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲氧基-5-甲基己-2-炔-4-酮 在 aluminum oxide 、 tetrafluoroboric acid 、 mercury(II) oxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 7.0h， 生成 1-甲氧基-5-甲基己烷-2,4-二酮
  参考文献：
  名称：

  Synthesis of .beta.-keto 1,3-dithianes from acetylenic ketones

  摘要：

  DOI：

  10.1021/jo00052a064
• 作为产物：
  描述：

  6-甲氧基-2-甲基-己-4-炔-3-醇 在 jones reagent 作用下， 生成 1-甲氧基-5-甲基己-2-炔-4-酮
  参考文献：
  名称：

  Synthesis of .beta.-keto 1,3-dithianes from acetylenic ketones

  摘要：

  DOI：

  10.1021/jo00052a064

文献信息

• Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity
  申请人：Kume Masaharu

  公开号：US20090143414A1

  公开（公告）日：2009-06-04

  A compound which inhibits both of EGF receptor tyrosine kinase and HER2 tyrosine kinase is provided. A compound represented by the general formula (I): wherein R X is a group represented by the formula: wherein R 1 is a hydrogen atom, optionally substituted alkyl, etc.; Z is —O—, —N(R 10 )—, etc.; R 10 is a hydrogen atom, alkyl, etc.; R 2 is a hydrogen atom, optionally substituted alkyl, etc.; R 18 is a hydrogen atom, optionally substituted alkyl, etc.; R 19 is optionally substituted alkyl, etc.; W 1 is an optionally substituted non-aromatic nitrogen-containing group; R 17 is a hydrogen atom, optionally substituted alkyl, etc.; R 3 and R 4 are independently a hydrogen atom, optionally substituted alkyl, etc.; X is —O—, —S—, or —N(R 12 )—, etc.; R 12 is a hydrogen atom, alkyl, etc.; and A is phenyl optionally having a substituent, etc., its pharmaceutically acceptable salt, or a solvate thereof.

  提供了一种抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物由通式（I）表示：其中RX是由以下式子表示的基团：其中R1是氢原子，可选取代烷基等；Z是—O—，—N（R10）—等；R10是氢原子，烷基等；R2是氢原子，可选取代烷基等；R18是氢原子，可选取代烷基等；R19是可选取代烷基等；W1是可选取代非芳香族含氮基团；R17是氢原子，可选取代烷基等；R3和R4分别是氢原子，可选取代烷基等；X是—O—，—S—或—N（R12）—等；R12是氢原子，烷基等；A是苯基，可选取代基等，其药物可接受的盐或其溶剂化合物。
• QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY
  申请人：KUME Masaharu

  公开号：US20120123114A1

  公开（公告）日：2012-05-17

  A compound which inhibits both of EGF receptor tyrosine kinase and HER2 tyrosine kinase is provided. A compound represented by the general formula (I): wherein R X is a group represented by the formula: wherein R 1 is a hydrogen atom, optionally substituted alkyl, etc.; Z is —O—, —N(R 10 )—, etc.; R 10 is a hydrogen atom, alkyl, etc.; R 2 is a hydrogen atom, optionally substituted alkyl, etc.; R 18 is a hydrogen atom, optionally substituted alkyl, etc.; R 19 is optionally substituted alkyl, etc.; W 1 is an optionally substituted non-aromatic nitrogen-containing group; R 17 is a hydrogen atom, optionally substituted alkyl, etc.; R 3 and R 4 are independently a hydrogen atom, optionally substituted alkyl, etc.; X is —O—, —S—, or —N(R 12 )—, etc.; R 12 is a hydrogen atom, alkyl, etc.; and A is phenyl optionally having a substituent, etc., its pharmaceutically acceptable salt, or a solvate thereof.

  提供了一种同时抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物的普遍式表示为（I）：其中，RX是由以下式表示的基团：其中，R1是氢原子，可选地取代的烷基等；Z为—O—，—N(R10)—等；R10为氢原子，烷基等；R2为氢原子，可选地取代的烷基等；R18为氢原子，可选地取代的烷基等；R19为可选地取代的烷基等；W1为可选地取代的非芳香族含氮基团；R17为氢原子，可选地取代的烷基等；R3和R4分别为氢原子，可选地取代的烷基等；X为—O—，—S—或—N(R12)—等；R12为氢原子，烷基等；A为苯基，可选地具有取代基等，其药学上可接受的盐或其溶剂化物。
• Chemo- and Regioselective Cyclohydrocarbonylation of α-Keto Alkynes Catalyzed by a Zwitterionic Rhodium Complex and Triphenyl Phosphite
  作者：Bernard G. Van den Hoven、Bassam El Ali、Howard Alper

  DOI：10.1021/jo000230w

  日期：2000.6.1

  alpha-Keto alkynes react with CO and H-2 in the presence of catalytic quantities of the zwitterionic rhodium complex (eta(6)-C6H5BPh3)Rh--(+)(1,5-COD) and triphenyl phosphite affording either the 2-, 2(3H)-, or 2(5H)-furanones in 61-93% yields. The cyclohydrocarbonylation is readily accomplished using substrates containing alkyl, aryl, vinyl, and alkoxy groups at the acetylenic terminal, as well as a variety of primary, secondary, and tertiary alkyl, aryl, and heteroaryl groups connected to the ketone functionality. Structural and electronic properties present in the starting materials mediate the chemo- and regioselectivity of the reaction.
• Zanina, A. S.; Kirchanov, A. A.; Shergina, S. I., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 674 - 678
  作者：Zanina, A. S.、Kirchanov, A. A.、Shergina, S. I.、Sokolov, I. E.、Kotlyarevskii, I. L.

  DOI：——

  日期：——
• Reaction of terminal acetylenes with acid chlorides in the presence of copper salts
  作者：S. I. Shergina、I. E. Sokolov、A. S. Zanina、I. L. Kotlyarevskii

  DOI：10.1007/bf00995713

  日期：1984.3