(4-butoxy-phenoxymethyl)-oxirane | 18110-27-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-butoxy-phenoxymethyl)-oxirane
• 英文别名: 1-butoxy-4-(2,3-epoxy-propoxy)-benzene；1-Butoxy-4-(2,3-epoxy-propoxy)-benzol；(2F)-2-[(4-Butoxyphenoxy)methyl]oxirane；1-(4-n-butoxyphenoxy)-2,3-epoxy-propane；1-(p-butoxyphenoxy)-2,3-epoxy-propane；2-((4-Butoxyphenoxy)methyl)oxirane；2-[(4-butoxyphenoxy)methyl]oxirane
• CAS: 18110-27-5
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: VUOUSXLJIIFTIB-UHFFFAOYSA-N

物化性质

• 熔点：
  34-35 °C
• 沸点：
  142-150 °C(Press: 1 Torr)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-butoxy-phenoxymethyl)-oxirane 、 4-羟基苯甲酸烯丙酯 在 三乙烯二胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 Prop-2-enyl 4-[3-(4-butoxyphenoxy)-2-hydroxypropoxy]benzoate
  参考文献：
  名称：

  Design and Synthesis of a Novel and Potent Series of Inhibitors of Cytosolic Phospholipase A₂ Based on a 1,3-Disubstituted Propan-2-one Skeleton

  摘要：

  Using knowledge of the substrate specificity of cPLA(2) (phospliolipases A(2)), a novel series of inhibitors of this enzyme were designed based upon a three point model of inhibitor binding to the enzyme active site comprising a lipophilic anchor, an electrophilic serine "trap", and an acidic binding moiety. The resulting 1,3-diheteroatom-substituted propan-2-ones were evaluated as inhibitors of cPLA2 in both aggregated bilayer and soluble substrate assays. Systematic variation of the lipophilic, electrophilic, and acidic groups revealed a well-defined structure-activity relationship against the enzyme. Optimization of each group led to compound 22 (ARC70484XX), which contains a decyloxy lipophilic side chain, a 1,3-diaryloxypropan-2-one moiety as a unique serine trap, and a benzoic acid as the acidic binding group. AR-C70484XX was found to be among the most potent in vitro inhibitors of cPLA2, described to date being more than 20-fold more active against the isolated enzyme (IC50 = 0.03 muM) than the standard CPLA(2) inhibitor, arachidonyl trifluoromethyl ketone (AACOCF(3)), and also greater than 10-fold more active than AACOCF3 against the cellular production of arachidonic acid by HL60 cells (IC50 = 2.8 muM).

  DOI：

  10.1021/jm011050x
• 作为产物：
  描述：

  4-正丁氧基苯酚 、 环氧氯丙烷 在 sodium hydroxide 作用下， 生成 (4-butoxy-phenoxymethyl)-oxirane
  参考文献：
  名称：

  Heat stabilized compositions containing alkoxyphenylglycidyl ethers

  摘要：

  公开号：

  US02805170A1

文献信息

• NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES
  申请人：Thompson Andrew Mark

  公开号：US20110028466A1

  公开（公告）日：2011-02-03

  The current invention pertains to nitroimidazooxazine and nitroimidazooxazole analogues, their methods of preparation, and uses of the compounds as treatment for Mycobacterium tuberculosis , for use as anti-tubercular drugs, for use as anti-protozoal agents with unexpectedly high potency against Trypanosoma cruzi or Leishmania donovani , and for the treatment of other microbial infections.

  当前的发明涉及硝基咪唑噁啉和硝基咪唑噁唑类似物，它们的制备方法，以及将这些化合物用作治疗结核分枝杆菌、用作抗结核药物、用作对克氏锥虫或唐氏利什曼原虫具有意外高效的抗原虫药剂，以及用于治疗其他微生物感染的用途。
• Derivatives of 1-phenoxy-3-amino-propan-2-ol and process for their
  申请人：Cassella Farbwerke Mainkur Aktiengesellschaft

  公开号：US03969363A1

  公开（公告）日：1976-07-13

  The present invention relates to new pharmacologically valuable derivatives of 1-phenoxy-3-amino-propan-2-ol having the formula ##EQU1## and the aldehyde condensation products and acid addition salts thereof wherein X is selected from the group consisting of ##EQU2## wherein the phenyl ring I may have attached to it up to three similar or different substituents selected from the group consisting of alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkenyl, alkoxy, alkenyloxy, alkinyloxy, benzyloxy, phenyl, halogen and --NR.sub.1 R.sub.2, wherein R.sub.1 is selected from alkyl and acyl, and R.sub.2 is selected from hydrogen and alkyl and n is 1, 2 or 3; and to the production thereof by a method selected from (A) reacting 1-phenoxy-3-amino-propan-2-ol having the formula ##EQU3## with a compound having the formula Y-X, wherein X has the above defined meaning and Y is selected from halogen, --OH, --OK or --ONa; (B) reacting a compound of the formula ##EQU4## with a compound of the formula H.sub.2 N--X, wherein X has the above-defined meaning and Z is selected from ##EQU5## and ##EQU6## (C) reacting a phenol ##EQU7## with Z--CH.sub.2 --NH--X, wherein X and Z have the meaning defined above.

  本发明涉及1-苯氧基-3-氨基-丙烷-2-醇的新的药理学有价值的衍生物，其化学式为##EQU1##以及其醛缩合物和酸加成盐，其中X选自以下组中的一种##EQU2##其中苯环I可能连接有最多三个相似或不同的取代基，所述取代基选自烷基，烯基，炔基，环烷基，环烯基，烷氧基，烯氧基，炔氧基，苄氧基，苯基，卤素和--NR.sub.1 R.sub.2，其中R.sub.1选自烷基和酰基，R.sub.2选自氢和烷基，n为1、2或3；以及通过以下方法之一制备它们的方法：(A)反应具有以下式子的1-苯氧基-3-氨基-丙烷-2-醇与具有以下式子的化合物Y-X反应，其中X具有上述定义的含义，Y选自卤素，--OH，--OK或--ONa；(B)反应具有以下式子的化合物##EQU4##与具有以下式子的化合物H.sub.2 N--X反应，其中X具有上述定义的含义，Z选自##EQU5##和##EQU6##(C)反应苯酚##EQU7##与Z--CH.sub.2--NH--X反应，其中X和Z具有上述定义的含义。
• FLUOROPOLYETHER COMPOUND, AND LUBRICANT AND MAGNETIC DISC COMPRISING SAME
  申请人：Moresco Corporation

  公开号：EP3081549A1

  公开（公告）日：2016-10-19

  A compound of the formula (1), lubricant containing the compound and magnetic disk         R1-C6H4O-CH2CH(OH)CH2OCH2-R2-CH2-O-CH2CH(OH)CH2-OC6H4-R1     (1) wherein R1 is alkoxyl having 1 to 4 carbon atoms, amino or amido, R2 is -CF2CF2O(CF2CF2CF2O)zCF2CF2- or -CF2CF2CF2O(CF2CF2CF2CF2O)nCF2CF2CF2-, z is a real number of 1 to 15, n is a real number of 0 to 4.

  式 (1) 的化合物、含有该化合物的润滑剂和磁性盘 r1-c6h4o-ch2ch(oh)ch2och2-r2-ch2-o-ch2ch(oh)ch2-oc6h4-r1 (1) 其中 R1 是具有 1 至 4 个碳原子的烷氧基、氨基或氨基，R2 是-CF2CF2O(CF2CF2CF2O)zCF2CF2-或 -CF2CF2CF2O(CF2CF2CF2CF2O)nCF2CF2CF2-，z 是 1 至 15 的实数，n 是 0 至 4 的实数。
• FLUOROPOLYETHER COMPOUND, LUBRICANT, AND MAGNETIC DISK
  申请人：Moresco Corporation

  公开号：EP3162836A1

  公开（公告）日：2017-05-03

  An object of the present invention is to provide a compound that can inactivate active alumina in a magnetic head, a lubricant having decomposition resistance, and a magnetic disk using the lubricant. The present invention relates to a fluoropolyether compound represented by formula (1):         R1-CH2-R2-CH2-R3 wherein R1 is C1-C10 alkoxy; R2 is-(CF2)pO(CF2O)x(CF2CF2O)y(CF2CF2CF2O)z(CF2CF2CF2CF2O)w(CF2)p-; x and y are each a real number of 0 to 30; z is a real number of 0 to 30; w is a real number of 0 to 20; p is an integer of 1 to 3; R3 is-OCH2CH(OH)CH2OH, -OCH2CH(OH)CH2OCH2CH(OH)CH2OH, -O(CH2)mOH, or-OCH2 (OH) CHCH2-OC6H4-R4; m is an integer of 2 to 8; and R4 is hydrogen, C1-C4 alkoxy, amino, or an amide residue; and also relates to a lubricant comprising the compound and to a magnetic disk.

  本发明的目的是提供一种能使磁头中的活性氧化铝失活的化合物、一种具有抗分解性的润滑剂和一种使用该润滑剂的磁盘。本发明涉及一种由式（1）表示的氟聚醚化合物： R1-CH2-R2- -R3 其中 R1 是 C1-C10 烷氧基；R2 是-(CF2)pO(CF2O)x(CF2CF2O)y(CF2CF2CF2O)z(CF2CF2CF2CF2O)w(CF2)p-；x 和 y 分别是 0 至 30 的实数；z 是 0 至 30 的实数；w 是 0 至 20 的实数；p 是 1 至 3 的整数；R3是-O CH(OH) OH、-O CH(OH) O CH(OH) OH、-O( )mOH或-O (OH)CH -OC6H4-R4；m是2至8的整数；R4是氢、C1-C4烷氧基、氨基或酰胺残基；还涉及包含该化合物的润滑剂和磁盘。
• NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES
  申请人：Global Alliance For Tb Drug Development

  公开号：EP2459570B1

  公开（公告）日：2014-12-24