3-vinyladipic acid | 7726-78-5

• 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: 3-vinyladipic acid
• 英文别名: 3-vinylhexanedioic acid；ethylene hexanedioic acid；3-Vinyl-adipinsaeure；3-ethenylhexanedioic acid
• CAS: 7726-78-5
• 化学式: C₈H₁₂O₄
• 分子量: 172.181
• InChiKey: MKKPFVBPPQJZAY-UHFFFAOYSA-N

物化性质

• 熔点：
  81-82 °C
• 沸点：
  353.8±22.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-vinyladipic acid 在 硫酸 、 sodium hydride 作用下， 生成 1-Methylen-3-vinylcyclopentan
  参考文献：
  名称：

  Interconversion of 1-methylene-3-vinylcyclopentane and 5-methylenecycloheptene. A Cope rearrangement

  摘要：

  DOI：

  10.1021/ja00484a040
• 作为产物：
  描述：

  4-乙烯基-1-环己烯 在 臭氧 、 silver(l) oxide 作用下， 生成 3-vinyladipic acid
  参考文献：
  名称：

  Tolstikov, G. A.; Miftakhov, M. S.; Akbutina, F. A., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, # 8, p. 1574 - 1575

  摘要：

  DOI：

文献信息

• Polymers of 3-butene esters, their preparation and use
  申请人：Eastman Chemical Company

  公开号：US20010051690A1

  公开（公告）日：2001-12-13

  The specification describes various polymers having monomer of formula (I): 1 In formula (I), R1 and R2 are, independently, hydrogen, a C 1 -C 24 alkyl group, an aromatic or heteroaromatic group, a C 3 -C 8 cycloalkyl or C 2 -C 7 heterocycloalkyl group, or a —C(O)R3 group in which R3 is a C 1 -C 24 alkyl group, an aromatic or heteroaromatic group, a C 3 -C 8 cycloalkyl or C 2 -C 7 heterocyclic group; or a —CH 2 —C(O)—R4 group in which R4 is a C 1 -C 6 alkyl group. At least one of R1 and R2 is a —C(O)R3 group. The polymer may be a homopolymer or a copolymer containing other ethylenically unsaturated monomers. The polymer may be used in a variety of coating compositions such as inks, adhesives, paints and films. Unique monomers where both R1 and R2 are acetoacetyl groups and novel monomers where R2 is an acetoacetyl group are also described.

  该规范描述了具有式(I)的单体的各种聚合物： 在式(I)中，R1和R2分别是氢、C1-C24烷基、芳香或杂芳基、C3-C8环烷基或C2-C7杂环烷基、或者—C(O)R3基团，其中R3是C1-C24烷基、芳香或杂芳基、C3-C8环烷基或C2-C7杂环基；或者—CH2—C(O)—R4基团，其中R4是C1-C6烷基。R1和R2中至少有一个是—C(O)R3基团。该聚合物可以是同聚物或含有其他乙烯基不饱和单体的共聚物。该聚合物可用于各种涂料组合物，如油墨、粘合剂、油漆和薄膜。还描述了R1和R2均为乙酰乙酰基团的独特单体以及R2为乙酰乙酰基团的新型单体。
• PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND
  申请人：Kaneda Kiyotomi

  公开号：US20120316360A1

  公开（公告）日：2012-12-13

  A process for producing an α,β-unsaturated bond-containing ester compound, comprising: reacting an internal olefin or a cyclic olefin having one carbon-carbon double bond or more at a position other than terminals of a molecule thereof (the internal olefin and the cyclic olefin may each contain a hetero atom) with a carboxylic acid in an amide-based solvent in the presence of a palladium catalyst, a base, and molecular oxygen, thereby bonding a carboxyl group of the carboxylic acid to at least one of carbon atoms constituting the carbon-carbon double bond and carbon atoms at allylic positions of the internal olefin or the cyclic olefin, to obtain an ester compound having an α,β-unsaturated bond, the amide-based solvent being represented by the following formula (1): (in the formula (1), R 1 represents an alkyl group having 1 to 4 carbon atoms; R 2 and R 3 each independently represent an alkyl group having 1 to 4 carbon atoms or an aryl group; and when R 1 and R 2 are alkyl groups, R 1 and R 2 may be bonded to each other to form a ring structure).

  一种生产α，β-不饱和键含量酯化合物的方法，包括：在存在钯催化剂、碱和分子氧的情况下，将具有一个或多个碳-碳双键的内部烯烃或环烯烃（该内部烯烃和环烯烃可能含有杂原子）与羧酸在酰胺基溶剂中反应，从而将羧基与内部烯烃或环烯烃的烯烃碳原子中至少一个或烯丙位碳原子中的至少一个之一结合，以获得具有α，β-不饱和键的酯化合物，所述酰胺基溶剂由以下式（1）表示：（在式（1）中，R1代表具有1至4个碳原子的烷基基团；R2和R3各自独立地代表具有1至4个碳原子的烷基基团或芳基；当R1和R2为烷基基团时，R1和R2可以结合在一起形成环结构）。
• [EN] SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE<br/>[FR] COMPOSÉS DE PYRIMIDINE SUBSTITUÉE ET LEURS PROCÉDÉS D'UTILISATION ET DE FABRICATION
  申请人：UNIV HOLY GHOST DUQUESNE

  公开号：WO2016022881A1

  公开（公告）日：2016-02-11

  This invention provides substituted pyrimidine compounds that are useful in treating a patient having a disease or cancer. The compounds of this invention are useful as multi-enzyme antifolates selectively targeting the folate receptor (FR). Further, a method of making 5-and 6-substituted cyclopenta[d]pyrimidine for nonclassical and classical antifolates as TS and DHFR inhibitors is provided.

  本发明提供了可用于治疗患有疾病或癌症的取代嘧啶化合物。本发明的化合物可用作多酶抗叶酸类药物，选择性地靶向叶酸受体（FR）。此外，还提供了一种制备5-和6-取代环戊[d]嘧啶的方法，用于非经典和经典抗叶酸类药物，作为TS和DHFR抑制剂。
• Substituted Pyrimidine Compounds and Methods of Use and Manufacture
  申请人：Duquesne University of the Holy Spirit

  公开号：US20160039830A1

  公开（公告）日：2016-02-11

  This invention provides substituted pyrimidine compounds having the formula: wherein X is absent, CH 2 , S, or O, and R is an alkyl group having from one to ten carbon atoms, and optionally salts, hydrates, or solvates thereof, that are useful in treating a patient having a disease or cancer. The compounds of this invention are useful as multi-enzyme antifolates selectively targeting the folate receptor (FR). Further, a method of making 5- and 6-substituted cyclopenta[d]pyrimidine for nonclassical and classical antifolates as TS and DHFR inhibitors is provided.

  本发明提供了具有以下式子的取代嘧啶化合物：其中X为不存在，CH2，S或O，而R是具有从一到十个碳原子的烷基，以及其可选的盐、水合物或溶剂化物，这些化合物在治疗患有疾病或癌症的患者方面是有用的。本发明的化合物可用作多酶抗叶酸剂，有选择性地靶向叶酸受体（FR）。此外，本发明还提供了一种制备5-和6-取代环戊[d]嘧啶用于非经典和经典抗叶酸剂作为TS和DHFR抑制剂的方法。
• Hydrogen peroxide oxidation catalyzed by heteropoly acids combined with cetylpyridinium chloride. Epoxidation of olefins and allylic alcohols, ketonization of alcohols and diols, and oxidative cleavage of 1,2-diols and olefins
  作者：Yasutaka Ishii、Kazumasa Yamawaki、Toshikazu Ura、Hiroshi Yamada、Tsutomu Yoshida、Masaya Ogawa

  DOI：10.1021/jo00250a032

  日期：1988.7