t-amyl octanoate | 581784-60-3

• 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: t-amyl octanoate
• 英文别名: octanoic acid tert-pentyl ester；Octansaeure-tert-pentylester；2-Methylbutan-2-yl octanoate
• CAS: 581784-60-3
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: KQTWKNFPNRPNAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  t-amyl octanoate 在 sodium tetrahydroborate 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 13.0h， 生成 辛醇 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Reductions of Carboxylic Acids and Esters with NaBH₄ in Diglyme at 162°C

  摘要：

  Aromatic esters, including the extremely sterically hindered ester: t-amyl 2-chlorobenzoate, are readily reduced to the corresponding benzyl alcohols in high yield with NaBH4 in refluxing diglyme (162 degreesC). In sharp contrast, aliphatic esters usually gave only low yields of alcohols. Instead, diglyme fragmentation products are formed which undergo transesterification reactions, producing complex product mixtures including products such as RCOOCH2CH2OCH3. The mechanism of this process involves sodium borohydride-induced S(N)2 cleavage of diglyme (hydride attack) at high temperatures. However, when the extremely electron rich, 3,4,5-trimethoxybenzoic acid is treated with NaBH4/diglyme at 162 degreesC (with or without an equivalent of LiCl), no 3,4,5-trimethyoxybenzyl alcohol is formed. The electron rich and hindered ester, t-amyl-3,4,5-trimethoxybenzoate, also does not reduce under these conditions (with or without LiCl). However, both methyl and isopropyl 3,4,5-trimethoxybenzoate esters were converted into 3,4,5-trimethyoxybenzyl alcohol in good yields in NaBH4/diglyme/LiCl at 162 degreesC. These reductions did not occur unless LiCl was present, illustrating the electron releasing effect of the three methoxy functions which reduce the carbonyl group's reactivity.

  DOI：

  10.1081/scc-120018935
• 作为产物：
  描述：

  2-甲基-2-丁醇 、 辛酰氯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 t-amyl octanoate
  参考文献：
  名称：

  Reductions of Carboxylic Acids and Esters with NaBH₄ in Diglyme at 162°C

  摘要：

  Aromatic esters, including the extremely sterically hindered ester: t-amyl 2-chlorobenzoate, are readily reduced to the corresponding benzyl alcohols in high yield with NaBH4 in refluxing diglyme (162 degreesC). In sharp contrast, aliphatic esters usually gave only low yields of alcohols. Instead, diglyme fragmentation products are formed which undergo transesterification reactions, producing complex product mixtures including products such as RCOOCH2CH2OCH3. The mechanism of this process involves sodium borohydride-induced S(N)2 cleavage of diglyme (hydride attack) at high temperatures. However, when the extremely electron rich, 3,4,5-trimethoxybenzoic acid is treated with NaBH4/diglyme at 162 degreesC (with or without an equivalent of LiCl), no 3,4,5-trimethyoxybenzyl alcohol is formed. The electron rich and hindered ester, t-amyl-3,4,5-trimethoxybenzoate, also does not reduce under these conditions (with or without LiCl). However, both methyl and isopropyl 3,4,5-trimethoxybenzoate esters were converted into 3,4,5-trimethyoxybenzyl alcohol in good yields in NaBH4/diglyme/LiCl at 162 degreesC. These reductions did not occur unless LiCl was present, illustrating the electron releasing effect of the three methoxy functions which reduce the carbonyl group's reactivity.

  DOI：

  10.1081/scc-120018935

文献信息

• Process for producing lanthanide series metal corboxylates and their use for the polymerization of diene monomers
  申请人：Chi Mei Corporation

  公开号：EP0968992A1

  公开（公告）日：2000-01-05

  A process for producing a compound of formula Ln(RCOO)3 wherein Ln is a lanthanide series metal element of atomic number 57 to 71 and R is a C1-C19 hydrogen group, comprises reacting together: (A) an oxide or carbonate of a lanthanide series metal Ln as defined above; (B) a C2-C20 carboxylic acid; (C) water; and (D) an inert solvent at a temperature of from 0°C to 300°C, wherein the molar ratio of water to the lanthanide series metal is at least 5:1.

  一种生产式 Ln(RCOO)3 的化合物的工艺，其中 Ln 为原子序数为 57 至 71 的镧系金属元素，R 为 C1-C19 氢基，包括将以下物质反应在一起： (A) 上文定义的镧系金属 Ln 的氧化物或碳酸盐； (B) C2-C20 羧酸 (C) 水；和 (D) 惰性溶剂 温度为 0°C 至 300°C，其中水与镧系金属的摩尔比至少为 5:1。
• Parallel synthesis of an ester library for substrate mapping of esterases and lipases
  作者：Krista L. Morley、Vladimir P. Magloire、Christine Guérard、Romas J. Kazlauskas

  DOI：10.1016/j.tetasy.2004.07.048

  日期：2004.9

  Use of solid-supported reagents simplified routine acylation of primary and secondary alcohols because it eliminated traditional purification. Using a parallel synthesizer, eight primary or secondary alcohols reacted with acid chloride in the presence of poly(4-vinylpyridine), which acted as a base and acylation catalyst. Filtration, subsequent addition of amino-functionalized silica gel to remove excess acid chloride and a second filtration affording the corresponding esters in high yield (70-98%), excellent chemical purity (93-99%). Acylation of enantiopure alcohols yielded enantiopure esters. Acylation of two tertiary alcohols gave esters in low yield (27-57%) and variable chemical purity (57-99%). (C) 2004 Elsevier Ltd. All rights reserved.
• POLYMER
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20180030175A1

  公开（公告）日：2018-02-01

  A polymer that is capable of affording a heat storage material superior in humidity permeability and shape retention after phase transition and that is superior in molding processability is provided. The polymer includes constitutional units (A) derived from ethylene, constitutional units (B) represented by a specified formula, and optionally includes constitutional units (C) represented by another specified formula. Where the total number of the units (A), the units (B), and the units (C) is 100%, the number of the units (A) accounts for 70% to 99%, the total number of the units (B) and the units (C) accounts for 1% by weight to 30% by weight. Where the total number of the units (B) and the units (C) is 100%, the number of the units (B) accounts for 1% to 100% and the number of the units (C) accounts for 0% to 99%.
• US5220045A
  申请人：——

  公开号：US5220045A

  公开（公告）日：1993-06-15
• [EN] RUBBER COMPOSITION AND MOLDED ARTICLE MANUFACTURED THEREFROM<br/>[FR] COMPOSITION DE CAOUTCHOUC ET ARTICLE MOULÉ FABRIQUÉ À PARTIR DE CETTE DERNIÈRE<br/>[KO] 고무 조성물 및 이로부터 제조된 성형품
  申请人：LG CHEMICAL LTD

  公开号：WO2021045537A1

  公开（公告）日：2021-03-11

  본 발명은 고무성분 간의 상용성을 조절하여 내마모성이 우수하면서도 점탄성 특성이 개선된 고무 조성물 및 이를 이용하여 제조된 타이어에 관한 것으로, 제1 합성고무 및 제2 합성고무를 포함하고, 상기 제1 합성고무는 1,2-비닐 결합 함량이 50 중량% 이상이고, 적어도 일 말단에 관능기가 결합되어 있는 용액중합 변성 공액디엔계 고무이고, 상기 제2 합성고무는 1,2-비닐 결합 함량이 50 중량% 미만인 공액디엔계 고무이며, 상온에서 수학식 1로 정의되는 상용성 파라미터(Xblend)가 2.0×10-3이상인 것인 고무 조성물을 제공한다.