2,6-二甲基-庚-2-烯酸 | 37070-61-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,6-二甲基-庚-2-烯酸
• 英文名称: 2,6-dimethyl-hept-2-enoic acid
• 英文别名: 2(R),6-dimethylheptenoic acid；2,6-Dimethyl-hept-2-ensaeure；2,6-Dimethyl-2-hepten-2-carbonsaeure；E-2,6-Dimethylhept-2-ensaeure；(E)-2,6-dimethylhept-2-enoic acid
• CAS: 37070-61-4；69297-21-8；60148-90-5
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: DGXFMSRRCXXQDG-SOFGYWHQSA-N

物化性质

• 沸点：
  253.5±9.0 °C(Predicted)
• 密度：
  0.943±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-二甲基-庚-2-烯酸 在 N-甲基吗啉 、 4-二甲氨基吡啶 、 二异丁基氢化铝 、 三乙胺 、 三氯氧磷 、 氯甲酸异丁酯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 7.66h， 生成 2-(2-[(1E)-1,5-dimethylhex-1-enyl]-5-methyloxazol-4-yl)ethyl methanesulfonate
  参考文献：
  名称：

  Novel (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids: Peroxisome proliferator-activated receptor γ selective agonists with protein-tyrosine phosphatase 1B inhibition

  摘要：

  A novel series of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives were synthesized and (S)-2-[(2E,4E)- hexadienoyl]-7-(2-(5-methyl-2-[( 1E)-5-methylhexen-1-yl]oxazol-4-yl]ethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (14i) was identified as a potent human peroxisome proliferator-activated receptor gamma (PPAR gamma) selective agonist (EC(50) = 0.03 mu M) and human protein-tyrosine phosphatase 1B (PTP-1B) inhibitor (IC(50) = 1.18 mu M). C(max) after oral administration of 14i at 10 mg/kg was 2.2 mu g/ml (4.5 mu M) in male SD rats. Repeated administration of 14i and rosiglitazone for 14 days dose-dependently decreased plasma glucose levels, ED(50) = 4.3 and 23 mg/kg/day, respectively, in male KK-A(y) mice. In female SD rats, repeated administration of 14i at 12.5-100 mg/kg/day for 28 days had no effect on the hematocrit value (Ht) and red blood cell count (RBC), while rosiglitazone significantly decreased them from 25 mg/kg/day. In conclusion, 14i showed about a fivefold stronger hypoglycemic effect and fourfold or more weaker hemodilution effect than rosiglitazone, indicating that 14i is 20-fold or more safer than rosiglitazone. Compound 14i is a promising candidate for an efficacious and safe anti-diabetic drug targeting PPAR gamma and PTP-1B. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.035
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 2,6-二甲基-庚-2-烯酸
  参考文献：
  名称：

  Chretien-Bessiere, Annales de Chimie (Cachan, France), 1957, vol. <13> 2, p. 301,365

  摘要：

  DOI：

文献信息

• Alkylation of lithium dienediolates of butenoic acids. Regioselectivity effects of structure and leaving group of the alkylating agent
  作者：Maria J. Aurell、Salvador Gil、Ramon Mestres、Margarita Parra、Lilian Parra

  DOI：10.1016/s0040-4020(98)00149-5

  日期：1998.4

  Regioselectivity of alkylation of but-2-enoic acids 1 and 2 by alkyl halides strongly depends on the reactivity of the electrophile. High α selectivity results for saturated alkyl halides, whereas poor α-selectivity is obtained for highly reactive allyl and benzyl halides. For reactive alkylating halides selectivity is partly governed by the ion pairing aggregates of the dienediolates. Lithium bromide

  丁-2-烯酸1和2被烷基卤化物烷基化的区域选择性在很大程度上取决于亲电试剂的反应性。饱和烷基卤化物的α选择性高，而高反应性烯丙基卤和苄基卤的α选择性差。对于反应性烷基化卤化物，选择性部分地由二烯二醇的离子对聚集体决定。正在进行的反应中生成的溴化锂和羧酸盐对区域选择性产生相反的影响。
• POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND
  申请人：Miyata Hideo

  公开号：US20100029876A1

  公开（公告）日：2010-02-04

  A polymerization accelerator includes a specific thiol compound. A curable composition of excellent thermal stability contains the polymerization accelerator. A cured product is obtained from the curable composition. The polymerization accelerator includes a thiol compound having two or more groups represented by Formula (1) below: wherein R 1 is a hydrogen atom or a C1-10 alkyl group, and m is an integer of 0, 1 or 2.

  一种聚合物化加速剂包括特定的硫醇化合物。具有优异热稳定性的可固化组合物中含有该聚合物化加速剂。从可固化组合物中得到固化产品。聚合物化加速剂包括具有以下式（1）所表示的两个或更多基团的硫醇化合物：其中R1是氢原子或C1-10烷基基团，m为0、1或2的整数。
• COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND
  申请人：JAPAN SCIENCE AND TECHNOLOGY AGENCY

  公开号：US20210002284A1

  公开（公告）日：2021-01-07

  Provided is a compound having higher fluorescence quantum yield and higher optical stability than a conventional FLAP and a polymer compound containing the compound. A: seven or eight-membered ring structure, Y 1 ,Y 2 ,Y 3 : halogen atom or the like, a1: number of Y 1 , a2: number of Y 2 , B: number of Y 3 , 0≤m and n≤3: when 1≤m≤3, Y 1 may be substituted with a structure portion defined by m, when 1≤n≤3, Y 2 may be substituted with a structure portion defined by n, and B 1 , B 2 : Formulas (2-1) to (2-3). C 1 , C 2 , C 3 : structure containing a cyclic hydrocarbon compound, D 1 , D 2 , D 3 : substructure that inhibits aggregation, E 1 , E 2 , E 3 : polymerizable substructure, Z 1 : hydrogen atom or the like, c: number of substituent groups Z 1 , Z 2 , Z 3 : hydrogen atom or the like, and may form a ring with C 2 .

  提供了一种具有比传统FLAP具有更高荧光量子产率和更高光学稳定性的化合物，以及含有该化合物的聚合物化合物。A：七元或八元环结构，Y1，Y2，Y3：卤素原子或类似物，a1：Y1的数量，a2：Y2的数量，B：Y3的数量，0≤m和n≤3：当1≤m≤3时，Y1可能被定义为m的结构部分替代，当1≤n≤3时，Y2可能被定义为n的结构部分替代，B1，B2：公式（2-1）至（2-3）。C1，C2，C3：含有环烃化合物的结构，D1，D2，D3：抑制聚集的亚结构，E1，E2，E3：可聚合的亚结构，Z1：氢原子或类似物，c：取代基Z1的数量，Z2，Z3：氢原子或类似物，可能与C2形成环。
• DENTAL COMPOSITION
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20220008297A1

  公开（公告）日：2022-01-13

  A dental composition may have good handling properties and low polymerization shrinkage stress, and be capable of producing a cured product having desirable mechanical strength and excellent transparency. A dental composition may include a polymerizable monomer (A), a filler (B), and a polymerization initiator (C), wherein the polymerizable monomer (A) includes a polyfunctional (meth)acrylic monomer (a-1) having an aromatic ring but no hydroxyl group, and a polyfunctional (meth)acrylic monomer (a-2) having an alicyclic skeleton, and the polyfunctional (meth)acrylic monomer (a-1) and the polyfunctional (meth)acrylic monomer (a-2) have a mass ratio (a-1)/(a-2) of 30/70 to 95/5.

  一种牙科组合物可能具有良好的操控性能和低聚合收缩应力，并能够产生具有理想机械强度和优异透明度的固化产品。一种牙科组合物可能包括可聚合单体（A）、填料（B）和聚合引发剂（C），其中可聚合单体（A）包括具有芳香环但无羟基的多官能（甲基）丙烯酸单体（a-1），以及具有脂环骨架的多官能（甲基）丙烯酸单体（a-2），且多官能（甲基）丙烯酸单体（a-1）和多官能（甲基）丙烯酸单体（a-2）的质量比（a-1）/（a-2）为30/70至95/5。
• Synthesis of vitamin E
  申请人：Hoffmann-La Roche Inc.

  公开号：US04016178A1

  公开（公告）日：1977-04-05

  A synthesis of Vitamin E in racemic or optically active forms from 6-methyl-2-hepten-4-ol; 6,10-dimethyl-2-undecen-4-ol or 6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-acetaldehyde including intermediates in this synthesis.

  从6-甲基-2-庚烯-4-醇；6,10-二甲基-2-十一烯-4-醇或6-苄氧基-2,5,7,8-四甲基-2-色苷-2-乙醛中以消旋或光学活性形式合成维生素E，包括在这种合成过程中的中间体。