2,2-Dimethyloctane-3,4-dione | 85083-73-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Dimethyloctane-3,4-dione
• 英文别名: 2,2-Dimethyl-3,4-octanedione
• CAS: 85083-73-4
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: LLCMNTAJCKEOIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  正丁基锂 、 N,N-二甲基特戊酰胺 、 一氧化碳 以 四氢呋喃 、 正己烷 、 正戊烷 为溶剂， 以57%的产率得到2,2-Dimethyloctane-3,4-dione
  参考文献：
  名称：

  Synthesis of .alpha.-diketones by direct, low-temperature, in situ nucleophilic acylation of esters by acyllithium reagents

  摘要：

  Addition of n-, sec-, or tert-butyllithium to a CO-saturated solution of an ester, R'CO2R'' in a solvent system of 4:4:1 (by volume) THF/Et2O/pentane at -110-degrees-C (or at -135-degrees-C in 3:1 (by volume) Me2O/THF), followed by hydrolysis with saturated aqueous NH4Cl, results in the formation of alpha-diketones, BuC(O)C(O)R', yellow liquids, in good yield. Similar reactions with diethyl succinate gave in one instance both t-BuC(O)C(O)CH2CH2CO2Et and t-BuC(O)C(O)CH2CH2C(O)C(O)Bu-t. The monoacylation product of dimethyl oxalate, t-BuC(O)C(O)CO2Me, readily formed a crystalline hydrate, t-BuC(O)C(OH)2CO2Me.

  DOI：

  10.1021/jo00020a014

文献信息

• Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions
  申请人：Lee Hoon Choong

  公开号：US20070010637A1

  公开（公告）日：2007-01-11

  Provided are a novel transition metal complex where a monocyclopentadienyl ligand to which an amido or alcoxy group is introduced is coordinated, a method of synthesizing the same, and olefin polymerization using the transition metal complex. Compared to a conventional transition metal complex having a silicon bridge and an oxido ligand, the transition metal complex has a phenylene bridge, so that a monomer easily approaches the transition metal complex in terms of structure and a pentagon ring structure of the transition metal complex is stably maintained. The catalyst composition including the transition metal complex is used to synthesize a polyolefin copolymer having a very low density less than 0.910 g/cc.

  提供了一种新型的过渡金属配合物，其中协同一个引入了氨基或醇氧基团的单环戊二烯基配体，以及一种合成该配合物的方法，以及利用该过渡金属配合物进行烯烃聚合的方法。与具有硅桥和氧化配体的传统过渡金属配合物相比，该过渡金属配合物具有苯基桥，因此在结构上单体容易接近过渡金属配合物，并且过渡金属配合物的五边形环结构可以稳定维持。包括该过渡金属配合物的催化剂组合物可用于合成密度小于0.910 g/cc的超低密度聚烯烃共聚物。
• QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY
  申请人：KUME Masaharu

  公开号：US20120123114A1

  公开（公告）日：2012-05-17

  A compound which inhibits both of EGF receptor tyrosine kinase and HER2 tyrosine kinase is provided. A compound represented by the general formula (I): wherein R X is a group represented by the formula: wherein R 1 is a hydrogen atom, optionally substituted alkyl, etc.; Z is —O—, —N(R 10 )—, etc.; R 10 is a hydrogen atom, alkyl, etc.; R 2 is a hydrogen atom, optionally substituted alkyl, etc.; R 18 is a hydrogen atom, optionally substituted alkyl, etc.; R 19 is optionally substituted alkyl, etc.; W 1 is an optionally substituted non-aromatic nitrogen-containing group; R 17 is a hydrogen atom, optionally substituted alkyl, etc.; R 3 and R 4 are independently a hydrogen atom, optionally substituted alkyl, etc.; X is —O—, —S—, or —N(R 12 )—, etc.; R 12 is a hydrogen atom, alkyl, etc.; and A is phenyl optionally having a substituent, etc., its pharmaceutically acceptable salt, or a solvate thereof.

  提供了一种同时抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物的普遍式表示为（I）：其中，RX是由以下式表示的基团：其中，R1是氢原子，可选地取代的烷基等；Z为—O—，—N(R10)—等；R10为氢原子，烷基等；R2为氢原子，可选地取代的烷基等；R18为氢原子，可选地取代的烷基等；R19为可选地取代的烷基等；W1为可选地取代的非芳香族含氮基团；R17为氢原子，可选地取代的烷基等；R3和R4分别为氢原子，可选地取代的烷基等；X为—O—，—S—或—N(R12)—等；R12为氢原子，烷基等；A为苯基，可选地具有取代基等，其药学上可接受的盐或其溶剂化物。
• TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS
  申请人：LEE Choong Hoon

  公开号：US20090209712A1

  公开（公告）日：2009-08-20

  Provided are a novel transition metal complex where a monocyclopentadienyl ligand to which an amido or alcoxy group is introduced is coordinated, a method of synthesizing the same, and olefin polymerization using the transition metal complex. Compared to a conventional transition metal complex having a silicon bridge and an oxido ligand, the transition metal complex has a phenylene bridge, so that a monomer easily approaches the transition metal complex in terms of structure and a pentagon ring structure of the transition metal complex is stably maintained. The catalyst composition including the transition metal complex is used to synthesize a polyolefin copolymer having a very low density less than 0.910 g/cc.

  提供了一种新型的过渡金属配合物，其中配位了一种引入了氨基或醇氧基的单环戊二烯基配体，以及一种合成该配合物的方法和使用该过渡金属配合物进行烯烃聚合的方法。与具有硅桥和氧配体的传统过渡金属配合物相比，该过渡金属配合物具有苯乙烯桥，因此单体在结构上更容易接近过渡金属配合物，并且过渡金属配合物的五边形环结构得到稳定维持。包括该过渡金属配合物的催化剂组合物用于合成密度小于0.910 g/cc的超低密度聚烯烃共聚物。
• High-yield acyl anion trapping reactions: syntheses of .alpha.-hydroxy ketones and 1,2-diketones
  作者：Dietmar Seyferth、Robert M. Weinstein、Wei Liang Wang

  DOI：10.1021/jo00155a057

  日期：1983.4
• SEYFERTH, D.;WEINSTEIN, R. M.;WANG, W. -L., J. ORG. CHEM., 1983, 48, N 7, 1144-1146
  作者：SEYFERTH, D.、WEINSTEIN, R. M.、WANG, W. -L.

  DOI：——

  日期：——