3,4-dimethyl-5-ethylphenol | 62126-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3,4-dimethyl-5-ethylphenol
• 英文别名: 3-ethyl-4,5-dimethylphenol
• CAS: 62126-75-4
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: BLBOUDCZBKATGD-UHFFFAOYSA-N

物化性质

• 熔点：
  78°C
• 沸点：
  242.5°C
• 密度：
  0.9688 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  6-Ethyl-5-octen-2-yn-4-one 在 collidinium p-toluene sulfonate 、 对苯二酚 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以82%的产率得到3,4-dimethyl-5-ethylphenol
  参考文献：
  名称：

  Enynones in Organic Synthesis. 8. Synthesis of the Antimicrobial-Cytotoxic Agent Juncusol and Members of the Effusol Class of Phenols

  摘要：

  Two new syntheses of phenols have been developed which have been utilized in an efficient preparation of the antimicrobial-cytotoxic agent juncusol (22) and several members of the effusol (23) class of phenols. These results complement our earlier studies with enynones of type 42 and provide for the highly efficient conversion of 42 to either methylenecyclopentenones 45 or phenols of type 47 or 54 with virtually 100% selectivity.

  DOI：

  10.1021/jo00107a017

文献信息

• Phosphate Ester Composition and Use
  申请人：Sasol (USA) Corporation

  公开号：US20180273556A1

  公开（公告）日：2018-09-27

  A phosphate ester composition comprising more than 50 mass % of a phosphate ester represented by Formula 1, wherein X, Y, and Z are independently selected from the group consisting of alkyl, heteroalkyl, heteroaryl or aryl, with at least one of X, Y and Z being aryl, represented by Formula 2, and wherein two or more of R3, R4 and R5 have from 1 to 10 carbon atoms, and the total number of carbon atoms in R3, R4 and R5 is from 3 to 30. The use of the phosphate ester composition as a flame retardant, a lubricant, an anti-wear additive, a hydraulic fluid, a self-extinguishing functional fluid, or an additive thereof.

  一种磷酸酯组合物，其包括质量百分比超过50%的由式子1表示的磷酸酯，其中X、Y和Z独立地选择自烷基、杂烷基、杂芳基或芳基群，其中至少有一个是芳基，由式子2表示，且R3、R4和R5中的两个或更多个具有1至10个碳原子，且R3、R4和R5中的碳原子总数为3至30。将该磷酸酯组合物用作阻燃剂、润滑剂、抗磨添加剂、液压油、自熄功能液体或其添加剂。
• Phosphate ester composition and use
  申请人：Sasol (USA) Corporation

  公开号：US10544173B2

  公开（公告）日：2020-01-28

  A phosphate ester composition comprising more than 50 mass % of a phosphate ester represented by Formula 1, wherein X, Y, and Z are independently selected from the group consisting of alkyl, heteroalkyl, heteroaryl or aryl, with at least one of X, Y and Z being aryl, represented by Formula 2, and wherein two or more of R3, R4 and R5 have from 1 to 10 carbon atoms, and the total number of carbon atoms in R3, R4 and R5 is from 3 to 30. The use of the phosphate ester composition as a flame retardant, a lubricant, an anti-wear additive, a hydraulic fluid, a self-extinguishing functional fluid, or an additive thereof.

  一种磷酸酯组合物，其包含 50 质量％以上的磷酸酯，由式 1 表示，其中 X、Y 和 Z 独立选自由烷基、杂烷基、杂芳基或芳基组成的组，且 X、Y 和 Z 中至少有一个为芳基，由式 2 表示，且 R3、R4 和 R5 中的两个或两个以上具有 1 至 10 个碳原子，且 R3、R4 和 R5 中的碳原子总数为 3 至 30。将磷酸酯组合物用作阻燃剂、润滑剂、抗磨添加剂、液压油、自熄功能油或其添加剂。
• Enynones in organic synthesis. III. A novel synthesis of phenols
  作者：Peter A. Jacobi、Joseph I. Kravitz

  DOI：10.1016/s0040-4039(00)88463-4

  日期：1988.1
• Buu-Hoi et al., Recueil des Travaux Chimiques des Pays-Bas, 1956, vol. 75, p. 311,314
  作者：Buu-Hoi et al.

  DOI：——

  日期：——
• A DNMR study of isomeric phenols obtained by ring-opening, ring-closure of 3-isopropyl-2,4,6-trimethylpyrylium salts: an approach to the regioselectivity of the ring-closure
  作者：Harivelo G Rajoharison、Christian Roussel、Ulf Berg

  DOI：10.1016/s0040-4039(00)81898-5

  日期：1983.1