2-(2-butoxyethoxy)ethyl formate | 5437-04-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(2-butoxyethoxy)ethyl formate
• CAS: 5437-04-7
• 化学式: C₉H₁₈O₄
• 分子量: 190.24
• InChiKey: ZGBYWRMVBJLHAO-UHFFFAOYSA-N

物化性质

• 沸点：
  248.5±20.0 °C(Predicted)
• 密度：
  0.983±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  碘甲烷-d2 、 2-(2-butoxyethoxy)ethyl formate 在 magnesium 作用下， 生成 (1,1,3,3-2H4)-2-propanol
  参考文献：
  名称：

  Regiospecificity and isotope effects associated with the methyl-methylene eliminations in the enzyme-catalyzed biosynthesis of (R)- and (S)-limonene

  摘要：

  [8-H-3]-, [8,8,9,9-H-2(4)]-, and [1-H-3,8,9-H-2(6)] geranyl diphosphates (1-t, 1-d4, and 1-d6,t) were synthesized and used as substrates for several monoterpene cyclases to determine the regiospecificity and isotope effects attending the terminating proton transfers in the enzyme-catalyzed biosynthesis of (R)- and (S)-limonene. Degradation of enantiomeric [H-3]limonenes produced by cyclization Of 1-t with the (+)- and (-)-pinene cyclases (synthases) from Salvia officinalis demonstrated that the eliminations occur at both the cis- (55-65%) and trans-methyl (45-35%) groups. In contrast, the terminating eliminations in the formation of (+)- and (-)-limonene catalyzed by limonene cyclasses from Citrus sinensis and Perilla frutescens, respectively, were shown by degradation to occur exclusively (greater-than-or-equal-to 97-98%) at the cis terminal methyl group. The intramolecular isotope effects for the methyl-methylene elimination in limonene biosynthesis catalyzed by (+)- and (-)-pinene cyclases from S. officinalis were found to be k(H)/k(D) = 2.3 +/- 0.2 and 5.9 +/- 0.5, respectively, by GC/MS determinations of [H-2]-limonene derived from enzymatic cyclizations of 1-d4. Similar experiments with (-)-limonene cyclase from Mentha spicata resulted in k(H)/k(D) = 4.0 +/- 0.4. Incubations of 1-d6,t with pinene and bornyl PP cyclases from S. officinalis exhibited significant remote isotope effects (k(H)/k(D) = 1.16-1.27) on the total rate of monoterpene formation which suggest that the initial cyclization step of the enzyme-bound linalyl diphosphate intermediate is an important component of the overall rate of the enzymatic reactions. The isotope effects on the partitioning of the alpha-terpinyl carbocation intermediate between bicyclization and elimination to limonene were determined from the effects of deuterium substitution on the product ratios derived from enzymatic cyclization of 1-d6,t. The small size of these product isotope effects (k(H)/k(D)) = 1.2-1.7) is attributed to a conformational inversion of the alpha-terpinyl ion to a half-chair conformer prior to proton elimination to limonene, thereby rendering the bicyclizations relatively immune to the intrinsic deuterium isotope effect. The regiospecific proton transfers from the cis terminal methyl group effected by the limonene cyclases from Citrus and Perilla are attributed to the minimization of charge separation in the transition state.

  DOI：

  10.1021/jo00067a037
• 作为产物：
  描述：

  二乙二醇丁醚 、 甲乙酐 在 吡啶 作用下， 以90%的产率得到2-(2-butoxyethoxy)ethyl formate
  参考文献：
  名称：

  Regiospecificity and isotope effects associated with the methyl-methylene eliminations in the enzyme-catalyzed biosynthesis of (R)- and (S)-limonene

  摘要：

  [8-H-3]-, [8,8,9,9-H-2(4)]-, and [1-H-3,8,9-H-2(6)] geranyl diphosphates (1-t, 1-d4, and 1-d6,t) were synthesized and used as substrates for several monoterpene cyclases to determine the regiospecificity and isotope effects attending the terminating proton transfers in the enzyme-catalyzed biosynthesis of (R)- and (S)-limonene. Degradation of enantiomeric [H-3]limonenes produced by cyclization Of 1-t with the (+)- and (-)-pinene cyclases (synthases) from Salvia officinalis demonstrated that the eliminations occur at both the cis- (55-65%) and trans-methyl (45-35%) groups. In contrast, the terminating eliminations in the formation of (+)- and (-)-limonene catalyzed by limonene cyclasses from Citrus sinensis and Perilla frutescens, respectively, were shown by degradation to occur exclusively (greater-than-or-equal-to 97-98%) at the cis terminal methyl group. The intramolecular isotope effects for the methyl-methylene elimination in limonene biosynthesis catalyzed by (+)- and (-)-pinene cyclases from S. officinalis were found to be k(H)/k(D) = 2.3 +/- 0.2 and 5.9 +/- 0.5, respectively, by GC/MS determinations of [H-2]-limonene derived from enzymatic cyclizations of 1-d4. Similar experiments with (-)-limonene cyclase from Mentha spicata resulted in k(H)/k(D) = 4.0 +/- 0.4. Incubations of 1-d6,t with pinene and bornyl PP cyclases from S. officinalis exhibited significant remote isotope effects (k(H)/k(D) = 1.16-1.27) on the total rate of monoterpene formation which suggest that the initial cyclization step of the enzyme-bound linalyl diphosphate intermediate is an important component of the overall rate of the enzymatic reactions. The isotope effects on the partitioning of the alpha-terpinyl carbocation intermediate between bicyclization and elimination to limonene were determined from the effects of deuterium substitution on the product ratios derived from enzymatic cyclization of 1-d6,t. The small size of these product isotope effects (k(H)/k(D)) = 1.2-1.7) is attributed to a conformational inversion of the alpha-terpinyl ion to a half-chair conformer prior to proton elimination to limonene, thereby rendering the bicyclizations relatively immune to the intrinsic deuterium isotope effect. The regiospecific proton transfers from the cis terminal methyl group effected by the limonene cyclases from Citrus and Perilla are attributed to the minimization of charge separation in the transition state.

  DOI：

  10.1021/jo00067a037

文献信息

• OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME
  申请人：SHIOZAKI Hiroyoshi

  公开号：US20090306376A1

  公开（公告）日：2009-12-10

  A compound comprising a ring structure including a ring composed of four carbon atoms and two nitrogen atoms and a substituted or unsubstituted amino group bonded to the ring structure.

  一种化合物，包括一个环结构，其中包括由四个碳原子和两个氮原子组成的环，以及与环结构相结合的取代或未取代的氨基团。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• Optical recording medium and porphycene compound
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1180765A1

  公开（公告）日：2002-02-20

  A recordable optical recording medium of this invention capable of good recording and reproduction with a laser at wavelengths of 300 to 500 nm and/or 500 to 700 nm comprises at least one porphycene compounds optionally chelated with a metal in its recording layer.

  本发明的一种可记录光学记录介质，能用波长为 300 至 500 纳米和/或 500 至 700 纳米的激光进行良好的记录和复制，其记录层中至少包含一种可选择与金属螯合的卟吩化合物。
• BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1245571A1

  公开（公告）日：2002-10-02

  An optical recording medium having an organic dye layer as a recording layer on a substrate, wherein at least one benzobisazole-based compound represented by a general formula (1) is contained in the recording layer: (wherein substituents X and Y each independently represent an aryl group or a heteroaryl group, rings A and B each independently represent an oxazole ring or a thiazole ring, and Q1 and Q2 each independently represent a hydrogen atom, a halogen atom or an alkyl group, with a proviso that, aryl group(s) or heteroaryl group(s) represented by the substituents X and Y each independently may be substituted by a halogen atom, a hydroxyl group, a cyano group, an amino group or a substituted or unsubstituted alkyl, aralkyl, aryl, alkenyl, alkoxy, aralkyloxy, aryloxy, alkenyloxy, alkylthio, aralkylthio, arylthio, alkenylthio, mono-substituted amino, di-substituted amino, acyl, alkoxycarbonyl, aralkyloxycarbonyl, aryloxycarbonyl, alkenyloxycarbonyl, mono-substituted aminocarbonyl, di-substituted aminocarbonyl, acyloxy or heterocyclic ring group).

  一种光学记录介质，在基底上具有作为记录层的有机染料层，其中记录层中含有至少一种由通式(1)表示的苯并异噁唑基化合物： (其中取代基 X 和 Y 各自独立地代表芳基或杂芳基，环 A 和 B 各自独立地代表噁唑环或噻唑环，以及 Q1 和 Q2 各自独立地代表氢原子、卤素原子或烷基，但条件是，取代基 X 和 Y 各自独立地代表的芳基或杂芳基可被卤素原子取代、羟基、氰基、氨基或取代或未取代的烷基、烷基、芳基、烯基、烷氧基、烷氧基、芳氧基、烯氧基、烷硫基、烷硫基、芳硫基、芳硫基、烯硫基、单取代氨基、二取代氨基、酰基、烷氧基羰基、烷氧基羰基、芳氧基羰基、芳氧基羰基、烯氧基羰基、单取代氨基羰基、二取代氨基羰基、酰氧基或杂环基）。
• Optical recording medium and novel azaporphyrin compound
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1262966A2

  公开（公告）日：2002-12-04

  An optical recording medium having a recording layer which contains at least one compound selected from the group consisting of mono-, di-, and triazaporphyrin compounds optionally in the form of a metal complex; or an optical recording medium comprising a substrate and formed thereon at least a recording layer containing an organic dye as a main component, characterized in that the organic dye has a first maximum value of absorption at a wavelength λ1 of 400 nm or less in the absorption spectrum and has a second maximum value of absorption at a longer-wavelength side than the λ1, and a wavelength band wherein the refractive index (n) and the absorption coefficient (k) of the above organic dye satisfy n ≥ 1.90 and 0.03 ≤ k ≤ 0.30.

  一种光学记录介质，其记录层含有至少一种选自由金属络合物形式的单氮杂卟啉、二氮杂卟啉和三氮杂卟啉化合物组成的组中的化合物；或一种光学记录介质，包括基底和在基底上形成的至少含有一种有机染料作为主要成分的记录层，其特征在于，该有机染料在吸收光谱中波长λ1为400纳米或更小的波长处具有第一最大吸收值，并且在比λ1更长的波长侧具有第二最大吸收值，以及上述有机染料的折射率(n)和吸收系数(k)满足n≥1.90 和 0.03 ≤ k ≤ 0.30。