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vanillin isopropyl ether

中文名称
——
中文别名
——
英文名称
vanillin isopropyl ether
英文别名
vanillyl isopropyl ether;vanillyl alcohol isopropyl ether;2-Methoxy-4-[(1-methylethoxy)methyl]phenol;2-methoxy-4-(propan-2-yloxymethyl)phenol
vanillin isopropyl ether化学式
CAS
——
化学式
C11H16O3
mdl
——
分子量
196.246
InChiKey
ZTTRFIGCYCZORM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.3
  • 重原子数:
    14
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.45
  • 拓扑面积:
    38.7
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    香草醛氢气 作用下, 以 异丙醇 为溶剂, 180.0 ℃ 、5.0 MPa 条件下, 以21 %的产率得到vanillin isopropyl ether
    参考文献:
    名称:
    介孔氧化锆和氧化钴用于香草醛选择性加氢脱氧
    摘要:
    以香草醛(VAN)为模型化合物,通过不同方法制备介孔氧化锆(ZrO 2)和氧化钴(Co x O y),探讨催化剂对加氢脱氧(HDO)反应的催化性能。采用各种表征方法测试催化剂的形貌、结构和化学组成。研究发现,在最佳条件下,以沉淀法制备的ZrO 2为催化剂,异丙醇为溶剂,氢气催化VAN HDO生成2-甲氧基-4-甲基苯酚(MMP)的收率为99%。压力5 MPa,反应时间24 h,反应温度180 ℃。以沉淀法制备的Co x O y为催化剂,异丙醇为溶剂,氢气压力4 MPa,反应时间24 h,VAN HDO 甲基环己醇(MCYL)收率高达99%。反应温度170℃。 图形概要
    DOI:
    10.1007/s10562-023-04516-7
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文献信息

  • Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers <i>via</i> a MPV/etherification reaction cascade
    作者:Shipra Garg、Daniel K. Unruh、Clemens Krempner
    DOI:10.1039/d0cy01864c
    日期:——
    i·(HOPri)}2 (I), [(cyclohexyl)7Si7O12]ZrOPri·(HOPri)}2 (II), [(isobutyl)7Si7O12]HfOPri·(HOPri)}2 (III) and [(cyclohexyl)7Si7O12]HfOPri·(HOPri)}2 (IV), were synthesized in good yields from the reactions of M(OPri)4 (M = Zr, Hf) with R-POSS(OH)3 (R = isobutyl, cyclohexyl), resp. I–IV were characterized by 1H, 13C and 29Si NMR spectroscopy and their dimeric solid-state structures were confirmed by
    多面体低聚倍半硅氧烷络合物[((异丁基)7 Si 7 O 12 ] ZrOPr i ·(HOPr i)}} 2(I),[(环己基)7 Si 7 O 12 ] ZrOPr i ·(HOPr i)} 2(II),[((异丁基)7 Si 7 O 12 ] HfOPr i ·(HOPr i)}} 2(III)和[(环己基)7 Si 7 O 12 ] HfOPr i·(HOPr i)} 2(IV),是由M(OPr i)4(M = Zr,Hf)与R-POSS(OH)3(R =异丁基,环己基)反应合成的,收率很高。I – IV用1 H,13 C和29 Si NMR光谱表征,其二聚体固态结构通过X射线分析证实。I – IV在异丙醇中催化2-羟基和4-羟基,2-甲氧基和4-甲氧基苯甲醛和香兰素还原成醚化成各自的异丙醚,作为“绿色”溶剂和试剂。一世– IV是耐用且坚固的均相催化剂,可在100–160°
  • 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents
    申请人:IMAX Discovery GmbH
    公开号:EP2832233A1
    公开(公告)日:2015-02-04
    The present invention primarily relates to 1H-pyrrole-2,4-dicarbonyl-derivatives of Formula (I) wherein R1, R2, R3, Z. Z' and J are as defined in the description, to mixtures thereof and to the use thereof as flavoring agents. The compounds in accordance with the present invention are suitable for producing, imparting, or intensifying an umami flavor. The invention further relates to flavoring mixtures, compositions for oral consumption as well as ready-to-eat, ready-to-use and semifinished products, comprising an effective amount of the compound of Formula (I) or of a mixture of compounds of Formula (I) and to specific methods for producing, imparting, modifying and/or intensifying specific flavor impressions.
    本发明主要涉及式(I)的1H-吡咯-2,4-二羰基衍生物,其中R1、R2、R3、Z、Z'和J按描述定义,及其混合物,以及用作调味剂的使用。根据本发明的化合物适用于生产、赋予或增强鲜味。本发明进一步涉及包含式(I)化合物或式(I)化合物混合物的有效量的调味混合物、口腔消费的组成物以及即食、即用和半成品,以及用于生产、赋予、改变和/或增强特定风味印象的特定方法。
  • Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents
    申请人:IMAX Discovery GmbH
    公开号:EP2832234A1
    公开(公告)日:2015-02-04
    The present invention primarily relates to imidazo[1,2-a]pyridine-ylmethyl-derivatives of Formula (I) wherein R1, R2, X, W e J are as defined in the description, to mixtures thereof and to the use thereof as flavoring agents. The compounds in accordance with the present invention are suitable for producing, imparting, or intensifying an umami flavor. The invention further relates to flavoring mixtures, compositions for oral consumption as well as ready-to-eat, ready-to-use and semifinished products, comprising an effective amount of the compound of Formula (I) and to specific methods for producing, imparting, modifying and/or intensifying specific flavor impressions.
    本发明主要涉及式(I)的咪唑[1,2-a]吡啶基甲基衍生物,其中R1、R2、X、W和J如描述中定义,以及涉及它们的混合物和使用它们作为调味剂。根据本发明的化合物适合于产生、赋予或增强鲜味。本发明进一步涉及调味混合物、口腔摄入的配方以及包含有效量的式(I)化合物的即食、即用和半成品,以及用于生产、赋予、改变和/或增强特定风味印象的特定方法。
  • Microwave‐heated γ‐Alumina Applied to the Reduction of Aldehydes to Alcohols
    作者:Bhausaheb Dhokale、Arturo Susarrey‐Arce、Anna Pekkari、August Runemark、Kasper Moth‐Poulsen、Christoph Langhammer、Hanna Härelind、Michael Busch、Matthias Vandichel、Henrik Sundén
    DOI:10.1002/cctc.202001284
    日期:2020.12.16
    The development of cheap and robust heterogeneous catalysts for the MeerweinPonndorf‐Verley (MPV) reduction is desirable due to the difficulties in product isolation and catalyst recovery associated with the traditional use of homogeneous catalysts for MPV. Herein, we show that microwave heated γ‐Al2O3 can be used for the reduction of aldehydes to alcohols. The reaction is efficient and has a broad
    由于降低了产品分离和催化剂回收的困难,而传统上使用均相催化剂生产MPV带来的困难,因此需要开发廉价而坚固的Meerwein-Ponndorf-Verley(MPV)还原多相催化剂。在本文中,我们表明,微波中加热的γ-Al 2 ö 3可用于将醛还原为醇。该反应是有效的并且具有广泛的底物范围(19项)。可以通过简单过滤分离产物,并且可以再生催化剂。通过使用微波加热,我们可以将加热引导至催化剂而不是整个反应介质。此外,使用DFT研究反应机理,我们可以得出结论,在还原过程中,醛和2-丙氧基位于两个相邻的Al位点上,双位机理是有效的。另外,与其他金属氧化物相比,火山图被用来合理化Al 2 O 3的反应性。
  • METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME
    申请人:TAKASAGO INTERNATIONAL CORPORATION
    公开号:US20180057447A1
    公开(公告)日:2018-03-01
    The purpose of the present invention is to provide a cooling agent composition containing a novel methyl menthol derivative having no undesirable feeling of stimulation, malodor, bitterness, or the like, it being possible to use the cooling agent composition as a cooling agent or sensory stimulation agent having exceptional persistence of a sense of coolness and refreshing feeling. The present invention pertains to a cooling agent composition containing a methyl menthol derivative represented by general formula (1A) or general formula (1B).
    本发明的目的是提供一种冷却剂组合物,其中包含一种新型的甲基薄荷醇衍生物,不具有刺激感、恶臭、苦味等不良感觉,可以将该冷却剂组合物用作具有出色持久感觉的凉爽和清新感的冷却剂或感官刺激剂。本发明涉及一种含有由通式(1A)或通式(1B)表示的甲基薄荷醇衍生物的冷却剂组合物。
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