4,8-dimethyl-3-nonenoic acid | 80113-44-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4,8-dimethyl-3-nonenoic acid
• 英文别名: 4,8-dimethyl-non-3-enoic acid；4,8-Dimethyl-non-3-ensaeure；(E)-4,8-dimethylnon-3-enoic acid
• CAS: 80113-44-6
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: BSQKDDQDSOQJKF-JXMROGBWSA-N

物化性质

• 沸点：
  80 °C(Press: 3 Torr)
• 密度：
  0.928±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  4,8-dimethyl-3-nonenoic acid 生成 6-甲基-2-庚酮
  参考文献：
  名称：

  Observations and Model Simulations of Carbon Monoxide Emission Factors from a California Highway

  摘要：

  A series of twelve intensively monitored 1-hr CO dispersion studies were conducted near Davis, CA, in winter 1996. The experimental equipment included twelve CO sampling ports at elevations up to 50 m, three sonic anemometers, a tethersonde station, aircraft measurements of wind and temperature profile aloft, and a variety of conventional meteorological equipment. The study was designed to explore the role of vehicular exhaust buoyancy during worst-case meteorological conditions, such as low winds oriented in near-parallel alignment with the road during a surface-based nocturnal inversion. From the study, field estimates of the CO emission factor (EF) from a California vehicle fleet were computed using two different methods. The analysis suggests that the CT-EMFAC/EMFAC (EMission FACtor) models currently used to conduct federal conformity modeling significantly overpredict CO emissions for high-speed, free-flowing traffic on California highways.

  DOI：

  10.1080/10473289.2001.10464248
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 、 双氧水 作用下， 生成 4,8-dimethyl-3-nonenoic acid
  参考文献：
  名称：

  Observations and Model Simulations of Carbon Monoxide Emission Factors from a California Highway

  摘要：

  A series of twelve intensively monitored 1-hr CO dispersion studies were conducted near Davis, CA, in winter 1996. The experimental equipment included twelve CO sampling ports at elevations up to 50 m, three sonic anemometers, a tethersonde station, aircraft measurements of wind and temperature profile aloft, and a variety of conventional meteorological equipment. The study was designed to explore the role of vehicular exhaust buoyancy during worst-case meteorological conditions, such as low winds oriented in near-parallel alignment with the road during a surface-based nocturnal inversion. From the study, field estimates of the CO emission factor (EF) from a California vehicle fleet were computed using two different methods. The analysis suggests that the CT-EMFAC/EMFAC (EMission FACtor) models currently used to conduct federal conformity modeling significantly overpredict CO emissions for high-speed, free-flowing traffic on California highways.

  DOI：

  10.1080/10473289.2001.10464248

文献信息

• ONE-STEP SYNTHESIS OF HOMOTERPENOIC CARBOXYLIC ACIDS FROM β-ISOPROPENYL-β-PROPIOLACTONE AND ORGANOCOPPER REAGENTS
  作者：Tamotsu Fujisawa、Toshio Sato、Masatoshi Kawashima、Masakuni Nakagawa

  DOI：10.1246/cl.1981.1307

  日期：1981.9.5

  Regioselective reaction of Grignard reagents in the presence of a copper(I) catalyst or of organocuprates with the terminal vinyl carbon of β-isopropenyl-β-propiolactone through the SN2′ pathway affords 4-methyl-3-alkenoic acids in which the (E)-isomers predominate in good yields. Synthetic utility of this reaction is demonstrated in one-step synthesis of homoterpenoic carboxylic acids.

  在铜 (I) 催化剂或有机铜酸盐存在下，格氏试剂与 β-异丙烯基-β-丙内酯的末端乙烯基碳通过 SN2' 途径发生区域选择性反应，得到 4-甲基-3-链烯酸，其中 (E )-异构体以良好的产率占优势。该反应的合成效用在高萜羧酸的一步合成中得到证明。
• Regio- and Stereoselective Ring Opening of ω-Alkenyllactones Using Organocopper Reagents
  作者：Masatoshi Kawashima、Toshio Sato、Tamotsu Fujisawa

  DOI：10.1246/bcsj.61.3255

  日期：1988.9

  by the regio- and stereoselective ring opening of β, γ, and δ-lactones with unsaturated substituents at the ω-position using organocopper reagents such as halomagnesium diorganocuprates or Grignard reagents in the presence of copper(I) iodide. Both the organocopper reagents with primary, secondary, tertiary alkyl, and phenyl groups gave the corresponding carbon homologated alkenoic acids in good yields

  描述了通过 β、γ 和 δ-内酯的区域和立体选择性开环来制备 (E)-3-、(E)-4- 和 (E)-5- 烯酸的新合成方法在碘化铜 (I) 存在下，使用有机铜试剂如卤化二有机铜酸盐或格氏试剂在 ω 位去除不饱和取代基。具有伯、仲、叔烷基和苯基的有机铜试剂均以良好的产率得到相应的碳同系链烯酸。通过 ω-烯基内酯与二乙烯基-和二烯丙基铜酸盐的反应，也以良好的产率获得链二烯酸。利用β-异丙烯基-β-丙内酯的开环，很容易以良好的收率获得高萜类羧酸。
• KAWASHIMA, MASATOSHI;SATO, TOSHIO;FUJISAWA, TAMOTSU, BULL. CHEM. SOC. JAP., 61,(1988) N 9, C. 3255-3264
  作者：KAWASHIMA, MASATOSHI、SATO, TOSHIO、FUJISAWA, TAMOTSU

  DOI：——

  日期：——
• US4585594A
  申请人：——

  公开号：US4585594A

  公开（公告）日：1986-04-29
• Observations and Model Simulations of Carbon Monoxide Emission Factors from a California Highway
  作者：Anthony E. Held、Daniel P.Y. Chang、Debbie A. Niemeier

  DOI：10.1080/10473289.2001.10464248

  日期：2001.1

  A series of twelve intensively monitored 1-hr CO dispersion studies were conducted near Davis, CA, in winter 1996. The experimental equipment included twelve CO sampling ports at elevations up to 50 m, three sonic anemometers, a tethersonde station, aircraft measurements of wind and temperature profile aloft, and a variety of conventional meteorological equipment. The study was designed to explore the role of vehicular exhaust buoyancy during worst-case meteorological conditions, such as low winds oriented in near-parallel alignment with the road during a surface-based nocturnal inversion. From the study, field estimates of the CO emission factor (EF) from a California vehicle fleet were computed using two different methods. The analysis suggests that the CT-EMFAC/EMFAC (EMission FACtor) models currently used to conduct federal conformity modeling significantly overpredict CO emissions for high-speed, free-flowing traffic on California highways.