Methyl 2,3-dimethyl-2-butenoate | 49714-66-1

• 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: Methyl 2,3-dimethyl-2-butenoate
• 英文别名: methyl-2,3-dimethyl-butenoate；methyl 2-methyl-2-butenoate；2,3-dimethyl-crotonic acid methyl ester；2,3-Dimethyl-crotonsaeure-methylester；2,3-Dimethyl-buten-(2)-saeure-methylester；Trimethylacrylsaeure-methylester；2-Butenoic acid, 2,3-dimethyl-, methyl ester；methyl 2,3-dimethylbut-2-enoate
• CAS: 49714-66-1
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: SUXFTQHLBSWETF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  Methyl 2,3-dimethyl-2-butenoate 生成 methyl 2,3-dimethylbut-3-enoate
  参考文献：
  名称：

  酯的光化学。非环状和环状共轭酯之间反应性的对比

  摘要：

  DOI：

  10.1016/s0040-4039(01)87364-0
• 作为产物：
  描述：

  methyl 2,3-dimethyl-3-hydroxybutanoate 生成 Methyl 2,3-dimethyl-2-butenoate
  参考文献：
  名称：

  单线态氧与α，β-不饱和酯的区域选择性反应

  摘要：

  单线态氧与α，β-不饱和酯的反应显示出一般优先选择与该酯成对的烷基上的氢。

  DOI：

  10.1016/s0040-4039(00)98279-0

文献信息

• Novel solvent hydrogen-bonding effects in the singlet oxygen ene reaction: a comparison of α,β-unsaturated esters and acids
  作者：Kristina L Stensaas、Jason A Payne、Alexa N Ivancic、Anisha Bajaj

  DOI：10.1016/s0040-4039(01)02066-4

  日期：2002.1

  corresponding methyl esters using singlet oxygen were investigated in methanol and methanol/water solvent mixtures and compared to non-hydrogen-bonding solvents with different dielectric constants. The major and minor ene allylic hydroperoxide products were quantified and this ratio for the acids was found to be dependent on a hydrogen-bonding interaction between the solvent and substrate.

  在甲醇和甲醇/水溶剂混合物中，研究了使用单重态氧对酸，当归酸，2,3-二甲基-2-丁烯酸及其相应的甲酯进行光氧化，并将其与具有不同介电常数的非氢键溶剂进行比较。对主要和次要烯丙基氢过氧化物产物进行了定量，发现该酸的比例取决于溶剂和底物之间的氢键相互作用。
• SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20170210701A1

  公开（公告）日：2017-07-27

  The invention relates to cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes of general formula (I), or the salts thereof, where [X-Y], Q, R 1 , R 2 , A 1 , A 2 , V, W, m and n have the definitions specified in the description. The invention also relates to a production method for same and to the use of same for increasing stress tolerance in plants against abiotic stress, and/or for increasing the plant yield.

  该发明涉及一般式(I)的氰基环烷基戊二烯、氰基环烷基戊-2-炔、氰基杂环烷基戊二烯和氰基杂环烷基戊-2-炔，或其盐，其中[X-Y]、Q、R1、R2、A1、A2、V、W、m和n的定义如描述中所指定。该发明还涉及同类物质的生产方法以及将其用于增加植物对非生物胁迫的抗逆性和/或增加植物产量。
• Remarkably Facile Solvolyses of Triflates via Carbocationic Processes in Dimethyl Sulfoxide
  作者：Xavier Creary、Elizabeth A. Burtch

  DOI：10.1021/jo0356558

  日期：2004.2.1

  A number of triflates have been shown to undergo clean pseudo-first-order solvolysis reactions in DMSO-d6 to give products derived from carbocationic intermediates. Thus, t-BuCH(OTf)CO-t-Bu (5) and t-BuCH2OTf (9) react readily in DMSO-d6 at 25 °C to give a rearranged oxosulfonium salts, and subsequent alkene products where methyl migration to the incipient cationic center occurs. t-BuCH(OTf)CO2CH3

  已显示许多三氟甲磺酸酯在DMSO- d 6中进行了干净的拟一级溶剂分解反应，得到了衍生自碳阳离子中间体的产物。因此，t -BuCH（OTf）CO- t- Bu（5）和t -BuCH 2 OTf（9）在DMSO- d 6中在25°C下容易反应，得到重排的氧ulf盐，以及随后出现甲基迁移的烯烃产物到起始阳离子中心发生。t -BuCH（OTf）CO 2 CH 3（14）得到类似的重排产物，以及1-甲基环丙基三氟甲磺酸酯（21）得到开环的烯丙基氧ulf盐。这些主要三氟甲磺酸酯反应，经由ķ Δ通路。6-甲基双环[3.1.0]己-6-三氟甲磺酸酯（23），双环[2.2.1庚-1-基三氟甲磺酸酯（24），1,6-甲基[10]三氟甲磺酸十一烷基酯（25）， （CH 3）2 C（OTf）CO 2 CH 3（26）和（CH 3）2 CCN（OTf）（29）都在DMSO- d 6中反应生成碳正离子衍生的产物。PhCH（OTf）CF
• COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, KIT, AND COMPOUND
  申请人：Dublanchet Anne-Claude

  公开号：US20130017162A1

  公开（公告）日：2013-01-17

  The invention relates to a cosmetic composition, especially a hair composition, and to a method for the cosmetic treatment of keratin materials, especially of the hair, employing compounds of formula: in which Z represents (i) a hydrogen atom, (ii) a linear or branched C1 to C32 (saturated) alkyl radical; (iii) a linear or branched C2 to C32 (unsaturated) alkene radical, comprising one or two C═C double bonds; (iv) an aryl-substituted alkyl radical; said radicals being optionally substituted and/or interrupted.

  这项发明涉及一种化妆品组合物，特别是一种头发组合物，以及一种用于对角蛋白材料，特别是头发进行化妆处理的方法，采用以下式的化合物： 其中Z代表(i) 氢原子，(ii) 直链或支链的C1至C32（饱和）烷基基团；(iii) 直链或支链的C2至C32（不饱和）烯烃基团，包括一个或两个C═C双键；(iv) 芳基取代的烷基基团；所述基团可选择地被取代和/或中断。
• A New Experimental Protocol for Intrazeolite Photooxidations. The First Product-Based Estimate of an Upper Limit for the Intrazeolite Singlet Oxygen Lifetime
  作者：Andrea Pace、Edward L. Clennan

  DOI：10.1021/ja027053w

  日期：2002.9.1

  interior of the zeolite was documented. The nearly identical reaction rates in the two slurry solvents are attributed to a leveling of the singlet oxygen lifetime by the zeolite framework. A consideration of the rates of the various intrazeolite processes was used to estimate an upper limit for the intrazeolite lifetime of singlet oxygen.

  已经在己烷和全氟己烷浆液中检测了几种烯烃的沸石内光氧化。全氟己烷增加烯烃对沸石内部的亲合力的能力被记录在案。两种浆液溶剂中几乎相同的反应速率归因于沸石骨架使单线态氧寿命变平。考虑各种内部沸石过程的速率被用来估计单线态氧的内部沸石寿命的上限。