2-acetoxymethyl-1,3-butadiene | 40398-12-7

• 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-acetoxymethyl-1,3-butadiene
• 英文别名: acetoxymethyl-2 butadiene-1,3；2-acetoxymethyl-buta-1,3-diene；isoprenyl acetate；1-Acetoxy-2-methylen-buten-(3)；2-Acetoxymethyl-butadien-(1,3)；2-Acetoxymethyl-1,3-butadien；2-Methylidenebut-3-enyl acetate
• CAS: 40398-12-7
• 化学式: C₇H₁₀O₂
• 分子量: 126.155
• InChiKey: LYPVIZDXNQLMHU-UHFFFAOYSA-N

物化性质

• 沸点：
  155.1±9.0 °C(Predicted)
• 密度：
  0.917±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  2-acetoxymethyl-1,3-butadiene 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-methylene-3-buten-1-ol
  参考文献：
  名称：

  Addition of a functionalized isoprene unit to an allyl alcohol. I. The synthesis of .beta.-sinensal and related topics

  摘要：

  DOI：

  10.1021/ja01040a032
• 作为产物：
  描述：

  3-(溴甲基)-2,5-二氢噻吩 1,1-二氧化物 以 溶剂黄146 为溶剂， 100.0~200.0 ℃ 、2.0 kPa 条件下， 反应 9.0h， 生成 2-acetoxymethyl-1,3-butadiene
  参考文献：
  名称：

  稳定化的分子高活性配位络合物：Le formyl-2丁二烯三羰基铁。准备，翻倍和重新激活

  摘要：

  不稳定的2-甲酰基丁二烯的稳定的二烯铁三羰基配合物是由异戊二烯通过两种不同的方法制备的，并通过手性半恶唑烷酮的形成而拆分。该配合物容易与格氏试剂或其他碳负离子试剂反应，生成相应的醇，通过分解可从中获得稳定的二烯醇。醛络合物与有机锂化合物和铜酸盐的反应几乎非对映特异性地进行，这些试剂表现出相反的非对映选择性。这与镁和钛衍生物的行为相反，镁和钛衍生物仅导致那些非对映异构体的混合物。

  DOI：

  10.1016/0022-328x(86)82056-3

文献信息

• [EN] HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILES COMME INHIBITEURS DE MK2
  申请人：NOVARTIS AG

  公开号：WO2009010488A1

  公开（公告）日：2009-01-22

  The present invention describes tetracyclic compounds of formula (IA) or (IB), wherein the symbols R, X, A, Y, R2, R3 and D are as defined in the specification, their use in the treatment of certain diseases, e.g. depending on MK-2 or TNF activity, and ways of manufacturing them.

  本发明描述了式（IA）或（IB）的四环化合物，其中符号R、X、A、Y、R2、R3和D如规范中所定义，它们在治疗某些疾病中的用途，例如取决于MK-2或TNF活性，并制造它们的方法。
• Functionalized monomers for synthesis of rubbery polymers
  申请人：——

  公开号：US20040063884A1

  公开（公告）日：2004-04-01

  The present invention relates to a rubbery polymer which is comprised of repeat units that are derived from (1) at least one conjugated diolefin monomer, and (2) at least one functionalized monomer of the structural formula: 1 wherein the R′ groups in repeat units and in different repeat units can be the same or different and represent hydrogen atoms or alkyl groups containing from 1 to about 4 carbon atoms, wherein x represents an integer from 1 to about 10, and wherein the R groups in repeat units and in different repeat units can be the same or different and represent alkyl groups containing from 1 to about 10 carbon atoms or alkoxy groups containing from 1 to about 10 carbon atoms.

  本发明涉及一种橡胶聚合物，其由以下重复单元组成：（1）至少一种共轭二烯单体，和（2）至少一种结构式为的官能化单体，其中重复单元中的R′基和不同重复单元中的R′基可以相同或不同，代表氢原子或含有1至约4个碳原子的烷基基团，其中x代表从1到约10的整数，重复单元中的R基和不同重复单元中的R基可以相同或不同，代表含有1至约10个碳原子的烷基基团或含有1至约10个碳原子的烷氧基团。
• Functionalized elastomers
  申请人：——

  公开号：US20040063933A1

  公开（公告）日：2004-04-01

  This invention discloses a rubbery polymer which is comprised of repeat units that are derived from (1) at least one conjugated diolefin monomer, and (2) at least one functionalized monomer having of the structural formula: 1 wherein R represents an alkyl group containing from 1 to about 10 carbon atoms or a hydrogen atom, and wherein R 1 and R 2 can be the same or different and represent hydrogen atoms or a moiety selected from the group consisting of 2 wherein R3 groups can be the same or different and represent alkyl groups containing from 1 to about 10 carbon atoms, aryl groups, allyl groups, and alkyloxy groups of the structural formula —(CH 2 ) y —O—(CH 2 ) z —CH 3 , wherein Z represents a nitrogen containing heterocyclic compound, wherein R 4 represents a member selected from the group consisting of alkyl groups containing from 1 to about 10 carbon atoms, aryl groups, and allyl groups, and wherein n, x, y and z represents integers from 1 to about 10, with the proziso that R 1 and R 2 can not both be hydrogen atoms.

  这项发明揭示了一种由重复单元组成的橡胶聚合物，该重复单元源自（1）至少一种共轭二烯单体，以及（2）至少一种具有结构式的官能化单体：1其中R代表含有1至约10个碳原子的烷基基团或氢原子，R1和R2可以相同也可以不同，代表氢原子或从以下组中选择的基团2其中R3基团可以相同也可以不同，代表含有1至约10个碳原子的烷基基团、芳基基团、烯基基团和结构式为—（CH2）y—O—（CH2）z—CH3的烷氧基基团，其中Z代表含氮的杂环化合物，R4代表从以下组中选择的成员，包括含有1至约10个碳原子的烷基基团、芳基基团和烯基基团，n、x、y和z代表从1到约10的整数，但要求R1和R2不能同时为氢原子。
• BORON CONTAINING FUNCTIONALIZING AGENT
  申请人：Woloszynek Robert Alan

  公开号：US20120029234A1

  公开（公告）日：2012-02-02

  The present invention relates to functionalizing agents that are particularly useful for functionalizing living rubbery polymers to make the polymer more compatible with fillers, such as carbon black and silica. These functionalizing agents are comprised of a boron containing compound having a structural formula selected from the group consisting of: wherein R is selected from the group consisting of hydrogen atoms, alkyl groups and aryl groups, wherein R 1 , R 2 , and R 3 can be the same or different and are selected from the group consisting of alkyl groups, and aryl groups, and wherein R 4 represents an alkylene group or a bridging aromatic group.

  本发明涉及一种功能化剂，特别适用于功能化活性橡胶聚合物，使聚合物与填充剂（如碳黑和二氧化硅）更加相容。这些功能化剂由含硼化合物组成，其结构式选自以下组中的一组：其中R选自氢原子、烷基和芳基组，R1、R2和R3可以相同或不同，选自烷基和芳基组，R4表示烷基或桥接芳基组。
• Synthetic rubber that exhibits low hysteresis
  申请人：Dalphond Alexandre Jake

  公开号：US20060100320A1

  公开（公告）日：2006-05-11

  This invention discloses a rubbery polymer which is comprised of repeat units that are derived from (1) at least one conjugated diolefin monomer, and (2) 0.1 weight percent to 2 weight percent of at least one monomer having the structural formula: wherein R represents an alkyl group containing from 1 to about 10 carbon atoms or a hydrogen atom, wherein R′ represents a methyl group or a hydrogen atom, with the proviso that if R represents an alkyl group then R′ represents a hydrogen atom, wherein R 1 and R 2 can be the same or different, wherein R 1 represents an alkyl group that is functionalized with a leaving group, wherein R 2 represents a moiety selected from the group consisting of hydrogen atoms, alkyl groups containing from 1 to 18 carbon atoms, aryl groups containing from 6 to 18 carbon atoms, alkaryl groups containing from 7 to 18 carbon atoms, and alkyl groups that are functionalized with a leaving group, wherein the rubbery polymer is void of moieties containing tertiary amine groups, and wherein the rubbery polymer is void of repeat units which are derived from α,β-olefinically unsaturated amides.

  本发明揭示了一种橡胶聚合物，其由重复单元组成，该重复单元由（1）至少一种共轭双烯单体和（2）0.1重量％至2重量％的至少一种单体组成，该单体具有结构式：其中R表示含有1至约10个碳原子的烷基或氢原子的烷基基团，其中R'表示甲基基团或氢原子，但如果R表示烷基，则R'表示氢原子，其中R1和R2可以相同或不同，其中R1表示具有离去基团的烷基基团，其中R2表示从氢原子，含有1至18个碳原子的烷基基团，含有6至18个碳原子的芳基基团，含有7至18个碳原子的烷芳基团或具有离去基团的烷基基团中选择的基团，其中该橡胶聚合物不含有含有三级胺基团的基团，且该橡胶聚合物不含有由α，β-烯丙基未饱和酰胺衍生的重复单元。