1-(2,3,5,6-tetramethylphenyl)propan-1-one | 2040-16-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,3,5,6-tetramethylphenyl)propan-1-one
• 英文别名: propiodurene；1-(2,3,5,6-tetramethyl-phenyl)-propan-1-one；α-Oxo-α-(2.3.5.6-tetramethyl-phenyl)-propan；3¹-Oxo-1.2.4.5-tetramethyl-3-propyl-benzol；1-(2,3,5,6-Tetramethyl-phenyl)-propan-1-on；Aethyl-(2.3.5.6-tetramethyl-phenyl)-keton
• CAS: 2040-16-6
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: ZXNMFEBHZJZEKE-UHFFFAOYSA-N

物化性质

• 沸点：
  298.1±9.0 °C(Predicted)
• 密度：
  0.939±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  1-(2,3,5,6-tetramethylphenyl)propan-1-one 在 甲醇 、 copper oxide-chromium oxide 作用下， 250.0 ℃ 、21.57 MPa 条件下， 生成 1,2,4,5-四甲基-3-丙基-苯
  参考文献：
  名称：

  Nest materials and some chemical characteristics of nests of a New World swarm-founding polistine wasp,Polybia paulista(Hymenoptera Vespidae)

  摘要：

  Nest material, nitrogen and amino acid composition of nests Were examined in a New World swarm-founding polistine wasp, Polybia paulista. This wasp used minute vegetable chips, Which Were a dominant material, plant hairs, and mud and/or inorganic particles as nest building materials. A SEM observation and nitrogen and amino acid contents indicated that the amount of oral secretion used for construction and maintenance of the nests was quite small, compared With that used in Polistes nests. Such a small amount of oral secretion used for nest building is considered to be associated with their social organization (division of labor) and nest material. This study hypothesized that the amounts of oral secretion used for nest building are determined by an interaction among social organization, nest material and environmental factors, such as precipitation.Twenty-four amino acids were detected from protein in the nests of P. paulista, of which serine, glycine, alanine, valine, proline, aspartic acid and glutamic acid were major components. Amino acid composition of the protein in the nests of P. paulista differed distinctly from those of other so far known polistine and vespine wasps. The present result supports the view that amino acid composition of the protein in nests reflects phylogenetical relationships among wasps.

  DOI：

  10.1080/08927014.2001.9522766
• 作为产物：
  描述：

  2,3,5,6-四甲基苯乙酮 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 N,N-二甲基乙酰胺 为溶剂， 反应 36.0h， 生成 1-(2,3,5,6-tetramethylphenyl)propan-1-one
  参考文献：
  名称：

  DMF Dimethyl Acetal as Carbon Source for α-Methylation of Ketones: A Hydrogenation–Hydrogenolysis Strategy of Enaminones

  摘要：

  A novel heterogeneous catalytic hydrogenation hydrogenolysis strategy has been developed for the alpha-methylation of ketones via enaminones using DMF dimethyl acetal as carbon source. This strategy provides a very convenient route to alpha-methylated ketones using a variety of ketones without any base or oxidant.

  DOI：

  10.1021/acs.joc.5b00084

文献信息

• ¹³C N.M.R. STUDIES: PART IV. CARBON-13 N.M.R. SPECTRA OF SOME ALKYL PHENYL KETONES
  作者：K. S. Dhami、J. B. Stothers

  DOI：10.1139/v65-065

  日期：1965.2.1

  The 15.1 Mc/s 13C n.m.r. spectra of 21 substituted alkyl phenyl ketones, ArCOR, have been determined and the 13C chemical shifts measured. This group of compounds included examples of each of the ethyl, isopropyl, and t-butyl phenyl ketone series. Variations of the chemical shifts with structure are analyzed and compared with the results for substituted acetophenones. The study of steric inhibition

  已确定 21 种取代烷基苯基酮 (ArCOR) 的 15.1 Mc/s 13C nmr 光谱并测量了 13C 化学位移。这组化合物包括乙基、异丙基和叔丁基苯基酮系列的实例。分析化学位移随结构的变化，并与取代苯乙酮的结果进行比较。详细讨论了通过 13C 数据对这些化​​合物中缀合的空间抑制的研究。还确定了一些甲基芳基酮的乙酰碳参数，以检查该基团的取向对多环芳族骨架的影响。
• New derivatives of an aminoketone
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：EP0200942A2

  公开（公告）日：1986-11-12

  A new aminoketone derivative having a central muscle relaxant activity which is represented by the following general formula: wherein R1 and are the groups defined as I, II or III below, one of R2 and R3 is a hydrogen atom and the other is a lower alkyl group; n is 0 when R1 is I or II, and it is 0 or 1 when R1 is III: I: R1 is a group selected from the groups ① to ⑦ mentioned below and ① a group of the formula ② a group of the formula (wherein R5 is a fluorine atom, a bromine atom, a lower alkoxyl group, a lower alkyl group, hydroxyl group, CH2=CH-, a phenyl group or ③ a group of the formula (wherein R6 is a halogen atom, a lower alkyl group, (wherein R4 is a trihalogenomethyl group), CH2=CH- or phenyl group), (Continuation next page) ④ a group of the formula (wherein both R7 and R8 each are halogen atoms, lower alkyl groups, lower alkoxyl groups or hydrogen atoms), ⑤ a group of the formula (wherein R9 and R10 each are halogen atoms, lower alkyl groups or lower alkoxyl group, and R10 is a substituent at the position 4 or 5 of the phenyl ring), ⑥ a group of the formula (wherein R9 is a lower alkoxyl group, a lower alkyl group or a halogen atom; R" is a substituent at the position 2 or 3 of the phenyl ring, and is a lower alkyl group, a lower alkoxyl group or a hydroxyl group; and R12 is a substituent at the position 5 or 6 of the phenyl ring, and is a lower alkyl group or a halogen atom), and ⑦ a group of the formula (wherein R9 is a lower alkoxyl group, a lower alkyl group or a halogen atom; R13 is a lower alkyl group, a lower alkoxyl group or a hydroxyl group; and R14 is a lower alkyl group or a lower alkoxyl group, provided that R14 is a lower alkoxyl group when R9 is a lower alkoxyl group at the position 4 of the phenyl ring): II: R' is a group selected from the groups ① or ② mentioned below and ① a group of the formula (wherein R15 and R16 each are lower alkyl groups or lower alkoxyl groups; and R" is a hydrogen atom or a lower alkoxyl group, provided that one of R15 and R16 is a lower alkoxyl group when R17 is a lower alkoxyl group), ② a group of the formula (wherein R'6 and R16 each are lower alkyl groups or lower alkoxyl groups and R18 is a lower alkyl group, provided that R'6 is a substituent at the position 3 or 4): III: R1 is a group selected from the groups ①,②,③ or ④ mentioned below and is a group of the formula ① a group of the formula (wherein R20 is a hydrogen atom, a halogen atom, a lower alkyl group or a lower alkoxyl group), a group of the formula (wherein R21 is a halogen atom, a lower alkyl group or a lower alkoxyl group), ③ a group of the formula (wherein R22 is a lower alkoxyl group), and ④ a group of the formula (wherein R23 is a halogen atom or a lower alkyl group, R24 and R25 each are lower alkyl groups, and R26 is a lower alkyl group or a lower alkoxyl group), its pharmaceuticatly acceptable salt and a process for manufacturing thereof.

  一种具有中枢性肌肉松弛活性的新型氨基酮衍生物，其通式如下： 其中 R1 和 是下面定义为Ⅰ、Ⅱ或Ⅲ的基团，R2和R3中的一个是氢原子，另一个是低级烷基；当R1是Ⅰ或Ⅱ时，n为0，当R1是Ⅲ时，n为0或1：Ⅰ：R1 是选自下述基团①至⑦的基团，且 式中的一个基团 式中的一个基团 (其中 R5 是氟原子、溴原子、低级烷氧基、低级烷基、羟基、CH2=CH-、苯基或 式中的一个基团 (其中 R6 为卤素原子、低级烷基、 (其中 R4 为三卤代甲基）、CH2=CH- 或苯基），（下页接上文） 式中的一个基团 (其中 R7 和 R8 各为卤素原子、低级烷基、低级烷氧基或氢原子）、 式中的一个基团 (其中 R9 和 R10 各为卤素原子、低级烷基或低级烷氧基，且 R10 是位于苯环第 4 或第 5 位的取代基）、 式中的一个基团 (其中 R9 是低级烷氧基、低级烷基或卤素原子；R "是位于苯环第 2 或第 3 位的取代基，并且是低级烷基、低级烷氧基或羟基；R12 是位于苯环第 5 或第 6 位的取代基，并且是低级烷基或卤素原子），以及 ⑦ 式中的基团 式中的一个基团 (其中 R9 是低级烷氧基、低级烷基或卤原子；R13 是低级烷基、低级烷氧基或羟基；R14 是低级烷基或低级烷氧基，条件是当 R9 是位于苯环第 4 位的低级烷氧基时，R14 是低级烷氧基）： II：R'是选自下述基团①或②的基团，且 式中的一个基团 (其中 R15 和 R16 各为低级烷基或低级烷氧基；R "为氢原子或低级烷氧基，条件是当 R17 为低级烷氧基时，R15 和 R16 中的一个为低级烷氧基）、 式中的一个基团 (其中 R'6 和 R16 均为低级烷基或低级烷氧基，R18 为低级烷基，条件是 R'6 是位于 3 或 4 位的取代基）： III：R1 是选自下述基团①、②、③或④的基团，且 是式 式中的一个基团 (其中 R20 是氢原子、卤素原子、低级烷基或低级烷氧基、 低级烷基或低级烷氧基）、 式中的一个基团 (其中 R21 为卤素原子、低级烷基或低级烷氧基）、 式中的一个基团 (其中 R22 为低级烷氧基），以及 式中的一个基团 (其中 R23 为卤原子或低级烷基，R24 和 R25 分别为低级烷基，R26 为低级烷基或低级烷氧基）的基团、其药学上可接受的盐及其制造方法。
• Buu-Hoi,N.P. et al., Bulletin de la Societe Chimique de France, 1960, p. 1493 - 1495
  作者：Buu-Hoi,N.P. et al.

  DOI：——

  日期：——
• Baum; Meyer,V., Chemische Berichte, 1895, vol. 28, p. 3213
  作者：Baum、Meyer,V.

  DOI：——

  日期：——
• Friedel-Crafts reactions of tetramethylphenyl ketones with tetramethylbenzenes
  作者：Ahmed M. El-Khawaga、Royston M. Roberts

  DOI：10.1021/jo00194a032

  日期：1984.10

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