methyl 4-(2-phenyl-1,3-dioxolan-2-yl)butanoate | 381294-88-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 4-(2-phenyl-1,3-dioxolan-2-yl)butanoate
• CAS: 381294-88-8
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: BWFGEWAKDUSVQM-UHFFFAOYSA-N

物化性质

• 沸点：
  340.0±27.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-(2-phenyl-1,3-dioxolan-2-yl)butanoate 在 lithium aluminium tetrahydride 、 phosphorus pentoxide 、 二甲基亚砜 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 6.0h， 生成 5,5-(ethylenedioxy)-5-phenylpentanal
  参考文献：
  名称：

  Hassarajani, S. A.; Dhotare, B.; Chattopadhyay, A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 1, p. 80 - 81

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯甲酰基丁酸 在 4-甲基苯磺酸吡啶 作用下， 以 苯 为溶剂， 反应 4.0h， 生成 methyl 4-(2-phenyl-1,3-dioxolan-2-yl)butanoate
  参考文献：
  名称：

  Hassarajani, S. A.; Dhotare, B.; Chattopadhyay, A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 1, p. 80 - 81

  摘要：

  DOI：

文献信息

• Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-<i>a</i>]pyridin-2(1<i>H</i>)-ones and Octahydro-2<i>H</i>-2a,2a¹-diazacyclopenta[<i>cd</i>]inden-2-ones
  作者：Eva Pušavec Kirar、Miha Drev、Jona Mirnik、Uroš Grošelj、Amalija Golobič、Georg Dahmann、Franc Požgan、Bogdan Štefane、Jurij Svete

  DOI：10.1021/acs.joc.6b01608

  日期：2016.10.7

  Grignard reagents followed by N-alkylation at position 1 afforded the 1,7,7-trisubstituted hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones, whereas 1,3-dipolar cycloadditions of these dipoles to typical acetylenic and olefinic dipolarophiles gave 4a-substituted 2a,2a1-diazacyclopenta[cd]indene derivatives as the first representatives of a novel heterocyclic system. Regio- and stereoselectivity as well as the mechanism

  两个环状甲亚胺亚胺，7-甲基和7-苯基-2-氧代- Δ 7 -hexahydropyrazolo [1,5-一个]吡啶-8-鎓-1- IDE，在七个步骤制备来自各市售δ -酮酸。加入格氏试剂，然后在位置1进行N-烷基化，得到1,7,7-三取代的六氢吡唑并[1,5 - a ]吡啶2-2 （1 H）-一，而这些偶极的1,3-偶极环加成到典型的炔属和烯烃双极性亲和剂，得到4a-取代的2a，2a 1-二氮杂环戊基[ cd] indene衍生物作为新型杂环系统的第一个代表。使用计算和实验方法评估了区域和立体选择性以及这些[3 + 2]-环加成的机理。通过能量上有利的顺/内过渡态，获得的数据与极性一致的环加成机理相一致。
• Ketones as precursors of active compounds
  申请人：——

  公开号：US20030129212A1

  公开（公告）日：2003-07-10

  A compound of formula 1 wherein Y represents a pyridyl group, or a phenyl group of formula 2 wherein R 3 represents a hydrogen atom, a CF 3 group or an alkoxy group, R 4 represents a hydrogen atom, an alkyl group, or a CF 3 group, R 5 represents a hydrogen atom, an alkyl group, a CF 3 group or an alkoxy group, and R 1 and R 2 are the substituents of a terminal alkene of formula 3 wherein R 1 represents an alkyl or alkylene group, a mono- or poly-cycloalkyl group, or a phenyl group that optionally includes one or several hetero-atoms of oxygen, nitrogen, phosphorous or sulfur; R 2 represents a hydrogen atom, an alkyl or alkylene group, a mono- or poly-cycloalkyl group, or a phenyl group that optionally includes one or several hetero-atoms of oxygen, nitrogen, phosphorous and sulfur. This compound is capable of releasing, upon an exposure to light, an active compound such as a perfume and can be advantageously used in the treatment of any surface in order to perfume it through the controlled release of a perfumed molecule.

  式1的化合物，其中Y代表吡啶基团，或者式2的苯基团，其中R3代表氢原子、CF3基团或烷氧基团，R4代表氢原子、烷基团或CF3基团，R5代表氢原子、烷基团、CF3基团或烷氧基团，R1和R2是式3的末端烯烃的取代基，其中R1代表烷基或烷基烃基、单环或多环脂环基，或者可能包含氧、氮、磷或硫等一种或多种杂原子的苯基团；R2代表氢原子、烷基或烷基烃基、单环或多环脂环基，或者可能包含氧、氮、磷和硫等一种或多种杂原子的苯基团。该化合物能够在光照作用下释放活性化合物，如香水，并可以优势地用于处理任何表面，通过控制释放香水分子来使其带有香气。
• UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS
  申请人：FIRMENICH SA

  公开号：EP1294671A2

  公开（公告）日：2003-03-26
• US6949680B2
  申请人：——

  公开号：US6949680B2

  公开（公告）日：2005-09-27
• [EN] UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS<br/>[FR] UTILISATION DE CÉTONES COMME PRÉCURSEURS DE COMPOSÉS ACTIFS
  申请人：FIRMENICH & CIE

  公开号：WO2001096272A2

  公开（公告）日：2001-12-20

  A compound of formula (I) wherein Y represents a pyridyl group, or a phenyl group of formula [formula (Ia)] wherein R3 represents a hydrogen atom, a CF3 group or a linear or branched alkoxy group from C1 to C12, R4 represents a hydrogen atom, a linear or branched alkyl group from C1 to C4, or a CF3 group, R5 represents a hydrogen atom, a linear or branched alkyl group from C1 to C4, a CF3 group or a linear or branched alkoxy group from C1 to C12; and R1 and R2 are the substituents of a terminal alkene of formula (i) wherein R1 represents a linear or branched alkyl or alkylene group from C1 to C35, an unsubstituted or substituted mono- or poly-cycloalkyl group having 3 to 8 carbon atoms, or an unsubstituted or substituted phenyl group, said alkyl, alkylene, mono- or poly-cycloalkyl and phenyl groups possibly comprising one or several hetero-atoms selected from the group consisting of oxygen, nitrogen, phosphorous and sulphur; and R2 represents a hydrogen atom, a linear or branched alkyl or alkylene group from C1 to C35, an unsubstituted or substituted mono- or poly-cycloalkyl group from C3 to C8, or an unsubstituted or substituted phenyl group, said alkyl, alkylene, mono- or poly-cycloalkyl and phenyl groups possibly comprising one or several hetero-atoms selected from the group consisting of oxygen, nitrogen, phosphorous and sulphur ; is capable of releasing, upon an exposure to light, an active compound such as a perfume and can be advantageously used in the treatment of any surface in order to perfume it through the controlled releasse of a perfumed molecule.