2-丙基-戊-1-烯-3-醇 | 84065-11-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-丙基-戊-1-烯-3-醇
• 英文名称: 4-methyleneheptan-3-ol
• 英文别名: 2-propyl-pent-1-en-3-ol；4-Methylideneheptan-3-ol
• CAS: 84065-11-2
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: BRWYWNJBQGZZMF-UHFFFAOYSA-N

物化性质

• 沸点：
  51 °C(Press: 2 Torr)
• 密度：
  0.8521 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-丙基-戊-1-烯-3-醇 在 palladium on activated charcoal 、 乙醇 作用下， 生成 4-甲基-3-庚酮
  参考文献：
  名称：

  639.将αβ-不饱和醇重排为饱和醛和酮。第二部分 重新安排的过程

  摘要：

  DOI：

  10.1039/jr9570003270
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 bis(acetylacetonato)dioxidomolybdenum(VI) 吡啶 、 叔丁基过氧化氢 作用下， 以 氘代氯仿 为溶剂， 反应 24.0h， 生成 2-丙基-戊-1-烯-3-醇
  参考文献：
  名称：

  Regioselective hydroxylation of .pi.-allylpalladium complexes with the MoO2(acac)2-tert-BuOOH catalyst system

  摘要：

  DOI：

  10.1021/jo00151a025

文献信息

• [EN] ODORANTS AND COMPOSITIONS COMPRISING ODORANTS<br/>[FR] ODORISANTS ET COMPOSITIONS COMPRENANT DES ODORISANTS
  申请人：S H KELKAR AND COMPANY LTD

  公开号：WO2021209944A1

  公开（公告）日：2021-10-21

  The present invention relates to new classes of odorous 3-(2- methylenealkoxy)alkanenitrile derivatives of formula (I) which are useful as fragrance or flavor materials in particular in providing dry, woody, dusty, earthy, and/or patchouli notes together with optional coriander, aldehydic, citrus, mandarin, pear, cinnamon, and/ or petal floral-like notes to perfume, aroma or deodorizing/masking compositions.

  本发明涉及一种新的类别的具有公式(I)的气味性3-(2-亚甲基烯氧基)烷腈衍生物，其可用作香料或风味材料，特别是在提供干燥、木质、灰尘、泥土和/或广藿香音符以及可选的香菜、醛类、柑橘、柑橘、梨、肉桂和/或花瓣般的花香音符给香水、香氛或除臭/掩蔽组合物方面。
• Metal-Catalyzed Oxidations with Pinane Hydroperoxide:  A Mechanistic Probe To Distinguish between Oxometal and Peroxometal Pathways
  作者：H. E. B. Lempers、A. Ripollès i Garcia、R. A. Sheldon

  DOI：10.1021/jo971270b

  日期：1998.3.1

  The relative reactivities of tert-butyl hydroperoxide (TBHP) and pinane hydroperoxide (PHP) in metal (Cr, Mo, Ru, Se, V, and Zr)-catalyzed oxidations were compared. When these oxidations involve rate-limiting oxygen transfer from a peroxometal species to the substrate huge differences between TBHP and PHP were observed, e.g., molybdenum-catalyzed epoxidation of cyclohexene with TBHP gave a 98% yield while PHP gave 0%. When the reaction involves reaction of an oxometal species with the substrate as the rate-limiting step, little or no difference is observed, e.g., the selenium-catalyzed allylic oxidation of beta-pinene gave a 96% and 99% yield with TBHP and PHP, respectively. Small but significant differences are observed when reoxidation of the catalyst by the hydroperoxide to the active oxometal species is the rate-limiting step; e.g., the chromium-catalyzed oxidation of carveol gave carvone in 89% and 24% yield with TBHP and PHP, respectively. Hence, the effect of RO2H structure on rate is dependent on the rate-limiting step.
• Trofimov, B. A.; Mikhaleva, A. I.; Petrova, O. V., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 10, p. 1889 - 1894
  作者：Trofimov, B. A.、Mikhaleva, A. I.、Petrova, O. V.、Sigalov, M. B.

  DOI：——

  日期：——
• TROFIMOV, B. A.;MIXALEVA, A. I.;PETROVA, O. V.;SIGALOV, M. V., ZH. ORGAN. XIMII, 24,(1988) N 10, S. 2095-2101
  作者：TROFIMOV, B. A.、MIXALEVA, A. I.、PETROVA, O. V.、SIGALOV, M. V.

  DOI：——

  日期：——