2,2,4,6,7-五甲基苯并呋喃 | 142874-81-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 2,2,4,6,7-五甲基苯并呋喃
• 英文名称: 2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran
• 英文别名: 2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran；2,3-dihydro-2,2,4,6,7-pentamethylbenzofuran；2,2,4,6,7-pentamethyl-2,3-dihydro-benzofuran；2,2,4,6,7-pentamethyldihydrobenzofuran；2,2,4,6,7-pentamethyl-3H-1-benzofuran
• CAS: 142874-81-5
• 化学式: C₁₃H₁₈O
• mdl: MFCD02093571
• 分子量: 190.285
• InChiKey: YTVLAWLRJVKWCF-UHFFFAOYSA-N

物化性质

• 熔点：
  44-46 °C
• 沸点：
  268.7±40.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,4,6,7-五甲基苯并呋喃 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 以86%的产率得到5-bromo-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran
  参考文献：
  名称：

  Benzofuran derivatives

  摘要：

  本发明提供了一种由以下式（I）表示的化合物： 其中： 环A代表可选择地取代的哌嗪环、可选择地取代的吗啉环或可选择地取代的同环丙二胺环； R1和R2彼此相同或不同，代表氢原子或可选择地取代的较低烷基； R3和R4彼此相同或不同，代表氢原子或卤代或非卤代的较低烷基； R5到R7彼此相同或不同，代表氢原子、羟基、可选择地取代的较低烷基、可选择地取代的较低烯基、可选择地取代的较低烷氧基、可选择地取代的环烷基、可选择地取代的芳基、可选择地取代的芳香杂环、可选择地取代的氨基或酰基；和 代表单键或双键，或其盐。

  公开号：

  US20100234357A1
• 作为产物：
  描述：

  2,3,5-三甲基苯酚 在 potassium carbonate 、 对甲苯磺酸 、 N,N-二乙基苯胺 作用下， 以 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 27.5h， 生成 2,2,4,6,7-五甲基苯并呋喃
  参考文献：
  名称：

  Discovery of Benzofuran Derivatives that Collaborate with Insulin-Like Growth Factor 1 (IGF-1) to Promote Neuroprotection

  摘要：

  A series of benzofuran derivatives with neuroprotective activity in collaboration with IGF-1 was discovered using a newly developed cell-based assay involving primary neural cells prepared from rat hippocampal and cerebral cortical tissues. A structure activity relationship study identified compound 8 as exhibiting potent activity and brain penetrability. An in vitro pharmacological study demonstrated that although IGF-1 and 8 individually exhibited the neuroprotective effect, the latter acted in collaboration with IGF-1 to enhance neuroprotective activity.

  DOI：

  10.1021/acs.jmedchem.6b00191

文献信息

• Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug
  申请人：Jenkins Thomas E.

  公开号：US20120178772A1

  公开（公告）日：2012-07-12

  The embodiments provide Compound KC-8, N-1-[3-(oxycodone-6-enol-carbonyl-methyl-amino)-2,2-dimethyl-propylamine]-arginine-glycine-malonic acid, or acceptable salts, solvates, and hydrates thereof. The present disclosure also provides compositions, and their methods of use, where the compositions comprise a prodrug, Compound KC-8, that provides controlled release of oxycodone. Such compositions can optionally provide a trypsin inhibitor that interacts with the enzyme that mediates the controlled release of oxycodone from the prodrug so as to attenuate enzymatic cleavage of the prodrug.

  本发明提供了化合物KC-8，即N-1-[3-(氧可酮-6-烯醇-羰基-甲基-氨基)-2,2-二甲基-丙胺]-精氨酸-甘氨酸-苹果酸，或其可接受的盐、溶剂合物和水合物。本发明还提供了包含前药KC-8的组合物及其使用方法，其中该组合物包含一个前药KC-8，它能控制释放氧可酮。这样的组合物可以选择性地提供一个胰蛋白酶抑制剂，该抑制剂与介导前药控制释放氧可酮的酶相互作用，以减弱前药的酶切裂。
• [EN] NEW ANTIBACTERIAL PRODUCTS<br/>[FR] NOUVEAUX PRODUITS ANTIBACTÉRIENS
  申请人：UNIV OF LINCOLN

  公开号：WO2018162922A1

  公开（公告）日：2018-09-13

  The invention provides novel antibacterial compounds of formulae IA, IB and IC as defined herein. Optionally, the antibacterial compounds can be bonded to a delivery agent that is capable of bonding to one or more structures on a bacterial cell membrane. The invention also provides the use of such compounds in treating or preventing bacterial infections, and processes for their synthesis.

  该发明提供了如下所定义的IA、IB和IC式的新型抗菌化合物。可选地，这些抗菌化合物可以与能够结合到细菌细胞膜上的一个或多个结构的传递剂结合。该发明还提供了利用这些化合物治疗或预防细菌感染的方法，以及它们的合成方法。
• 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-methyl (Pbfm) as an Alternative to the Trityl Group for the Side-Chain Protection of Cysteine and Asparagine/Glutamine
  作者：Oscar Garcia、Josep M. Bofill、Ernesto Nicolas、Fernando Albericio

  DOI：10.1002/ejoc.201000201

  日期：2010.7

  The benzyl derivative of the Pbf group, which is the most commonly used side-chain protecting group for Arg, has been proposed for the protection of the side chains of Cys, Asp, and Glu. In the three cases, the new protecting group (Pbfm) was removed with a high concentration of TFA during the cleavage and global deprotection step. In addition, the Pbfm group can be removed from the Cys residue by

  Pbf 基团的苄基衍生物是 Arg 最常用的侧链保护基团，已被提议用于保护 Cys、Asp 和 Glu 的侧链。在这三种情况下，新的保护基团 (Pbfm) 在裂解和全局脱保护步骤中被高浓度的 TFA 去除。此外，可以使用非常稀的 TFA 溶液从 Cys 残留物中去除 Pbfm 基团。此外，当 Cys 被 Pbfm 基团保护时，它可以通过氧化处理去除，从而直接在固相上形成二硫键。
• Herbicidal cyclohexane-1,3-dione derivatives and their preparation
  申请人：Korea Research Institute of Chemical Technology

  公开号：US05631208A1

  公开（公告）日：1997-05-20

  The present invention relates to novel cyclohexane-1,3-dione derivatives of formula (I) useful as herbicides and plant-growth regulants. ##STR1## wherein, X is selected from the group consisting of hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.6 alkoxy, halogen, C.sub.1 -C.sub.6 haloalkyl, nitro, cyano, C.sub.1 -C.sub.6 alkylthio, C.sub.1 -C.sub.6 alkylsulfinyl, C.sub.1 -C.sub.6 alkylsulfonyl, sulfamoyl, N-(C.sub.1 -C.sub.6 alkyl) sulfamoyl and N,N-di(C.sub.1 -C.sub.6 alkyl) sulfamoyl group; (X)n represents number of X substituents which may be the same or different on benzene ring, where n is 1, 2 or 3. Also, cyclohexyl moiety, one of the substituents on benzofuran ring, is substituted at 4, 5, 6 or 7 position. The (X)n can't be filled only with hydrogens and the (X)n can substitute position where cyclohexyl moiety is not substituted; R.sup.1 is selected from hydrogen and C.sub.1 -C.sub.4 alkyl group; R.sup.2 is selected from C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.6 alkenyl and C.sub.2 -C.sub.6 alkynyl group; R.sup.3 is selected from hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 haloalkyl, C.sub.2 -C.sub.6 alkenyl, C.sub.2 -C.sub.6 haloalkenyl, C.sub.2 -C.sub.6 alkoxyalkyl, C.sub.2 -C.sub.6 alkylthioalkyl, benzyl and C.sub.2 -C.sub.6 haloalkanoyl group; R.sup.4 is selected from hydrogen, alkali metal cation, alkaline earth metal cation, C.sub.1 -C.sub.4 alkanoyl, C.sub.1 -C.sub.4 haloalkanoyl and benzoyl group.

  本发明涉及一种新型环己烷-1,3-二酮衍生物，其化学式为（I），可用作除草剂和植物生长调节剂。其中，X 选自氢、C.sub.1 -C.sub.6 烷基、C.sub.2 -C.sub.6 烷氧基、卤素、C.sub.1 -C.sub.6 卤代烷基、硝基、氰基、C.sub.1 -C.sub.6 烷基硫醚、C.sub.1 -C.sub.6 烷基亚砜基、C.sub.1 -C.sub.6 烷基砜基、磺酰氨基、N-(C.sub.1 -C.sub.6 烷基)磺酰氨基和N,N-二(C.sub.1 -C.sub.6 烷基)磺酰氨基基团；（X）n 代表苯环上可能相同或不同的 X 取代基的数量，其中 n 为 1、2 或 3。此外，环己基基团是苯并呋喃环上的取代基之一，在 4、5、6 或 7 位置发生取代。（X）n 不能只填充氢，（X）n 可以取代环己基基团未取代的位置；R^1 选自氢和 C.sub.1 -C.sub.4 烷基基团；R^2 选自 C.sub.1 -C.sub.6 烷基、C.sub.2 -C.sub.6 烯基和 C.sub.2 -C.sub.6 炔基基团；R^3 选自氢、C.sub.1 -C.sub.6 烷基、C.sub.1 -C.sub.6 卤代烷基、C.sub.2 -C.sub.6 烯基、C.sub.2 -C.sub.6 卤代烯基、C.sub.2 -C.sub.6 烷氧基烷基、C.sub.2 -C.sub.6 烷基硫醚烷基、苄基和 C.sub.2 -C.sub.6 卤代烷酰基团；R^4 选自氢、碱金属阳离子、碱土金属阳离子、C.sub.1 -C.sub.4 烷酰基、C.sub.1 -C.sub.4 卤代烷酰基和苯甲酰基团。
• Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160185821A1

  公开（公告）日：2016-06-30

  The invention relates generally to the synthesis of modified amino acids and modified peptides in the presence of cyclometalated catalysts. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and industrial and fine chemicals chemistry.

  该发明通常涉及在环金属催化剂存在下合成改性氨基酸和改性肽。该发明在催化、有机合成、聚合物化学以及工业和精细化学品化学领域具有实用性。