3,4,5-tris(allyloxy)benzoic acid | 93006-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4,5-tris(allyloxy)benzoic acid
• 英文别名: 3,4,5-tris(prop-2-enoxy)benzoic acid
• CAS: 93006-89-4
• 化学式: C₁₆H₁₈O₅
• 分子量: 290.316
• InChiKey: CBMBSONVQAMJNP-UHFFFAOYSA-N

物化性质

• 熔点：
  78-79 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  431.5±40.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4,5-tris(allyloxy)benzoic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到3,4,5-tris(allyloxy)benzoyl chloride
  参考文献：
  名称：

  [EN] POLYMER
  [FR] POLYMÈRE

  摘要：

  根据公式1，揭示了一种PEG化聚合物，其中n是4到200个单体中的任何整数，R是包含4到200个单体的聚合物链。

  公开号：

  WO2018020034A1
• 作为产物：
  描述：

  methyl 3,4,5-tris(prop-2-en-1-yloxy)benzoate 在 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 14.0h， 以84%的产率得到3,4,5-tris(allyloxy)benzoic acid
  参考文献：
  名称：

  [EN] POLYMER
  [FR] POLYMÈRE

  摘要：

  根据公式1，揭示了一种PEG化聚合物，其中n是4到200个单体中的任何整数，R是包含4到200个单体的聚合物链。

  公开号：

  WO2018020034A1

文献信息

• Antibiotic compounds
  申请人：Imperial Chemical Industries PLC

  公开号：US05447925A1

  公开（公告）日：1995-09-05

  The present invention provides a compound of the formula (I) ##STR1## wherein: R.sup.1 is 1-hydroxyethyl, 1-fluoroethyl or hydroxymethyl; R.sup.2 is hydrogen or C.sub.1-4 alkyl; n is zero or an integer 1 to 4; and P is a benzene ring substituted by groups R.sup.3 and R.sup.4 which are ortho with respect to one another wherein R.sup.3 and R.sup.4 are independently hydroxy or in vivo hydrolysable esters thereof; or P is a group of the formula (II) or (III) ##STR2## wherein M is oxygen or a group NR.sup.5 wherein R.sup.5 is hydrogen or C.sub.1-4 alkyl; ring P being optionally further substituted; or a pharmaceutically acceptable salt or in vivo hydrolysable ester thereof.

  本发明提供了一种化合物，其化学式为（I）其中：R.sup.1为1-羟乙基、1-氟乙基或羟甲基；R.sup.2为氢或C.sub.1-4烷基；n为零或整数1至4；P为苯环，其被基团R.sup.3和R.sup.4取代，这两个基团相对于彼此是邻位的，其中R.sup.3和R.sup.4分别为羟基或其体内可水解酯；或P为式（II）或（III）的基团其中M为氧或基团NR.sup.5，而R.sup.5为氢或C.sub.1-4烷基；环P可以选择进一步取代；或其药学上可接受的盐或体内可水解酯。
• NANOSCALE DISCOTIC LIQUID CRYSTALLINE PORPHYRINS
  申请人：Li Quan

  公开号：US20070151600A1

  公开（公告）日：2007-07-05

  Novel nanoscale discotic liquid crystalline porphyrins, methods for their preparation, and device fabrication are disclosed. These compounds are capable of being used as high-efficiency photovoltaic materials, organic semiconducting materials, and organic light emitting materials.

  本发明涉及一种新型纳米尺度的圆盘状液晶卟啉化合物，以及它们的制备方法和器件制造方法。这些化合物可用作高效光伏材料、有机半导体材料和有机发光材料。
• AMPHIPHILIC JANUS-DENDRIMERS
  申请人：Percec Virgil

  公开号：US20120308640A1

  公开（公告）日：2012-12-06

  The invention concerns compounds of the formula: X—(Y) t wherein: X is Formula (X), each Y is the same or different and is Formula (Y) —O—[CH 2 —CH(OH)—CH 2 —O—] m —H; or —C(OR 5 ) 3 ; R 1 , R 2 , R 3 , R 6 , R 7 , R 8 , R 9 , R 10 are each, independently, —(CH 2 CH 2 O) m —R 4 , —[CH 2 CH(OH)CH 2 O] n H, OR 11 , —O(CH 2 ) P R 13 , or —(CH 2 )R 12 ; each R 4 is independently OR 5 or OH; R 5 , R 11 and R 12 are each, independently, H or C 1 -C 30 alkyl; R 13 is —NH 3 + Cl − or —NHBoc; t is an integer from 2 to 6; m, n, and p are each, independently, an integer from 1 to 12; and each q, r, and s is 0 or 1 and the sum of q+r+s is at least 2.

  本发明涉及以下式的化合物：X—（Y）t其中：X是式（X），每个Y相同或不同，是式（Y）—O—[CH2—CH（OH）—CH2—O—]m—H；或—C（OR5）3；R1、R2、R3、R6、R7、R8、R9、R10各自独立地为—（CH2CH2O）m—R4，—[CH2CH（OH）CH2O]nH，OR11，—O（CH2）PR13或—（CH2）R12；每个R4独立地为OR5或OH；R5、R11和R12各自独立地为H或C1-C30烷基；R13为—NH3+Cl−或—NHBoc；t为2至6的整数；m、n和p各自独立地为1至12的整数；每个q、r和s为0或1，且q+r+s的总和至少为2。
• Potent and Nontoxic Chemosensitizer of P-Glycoprotein-Mediated Multidrug Resistance in Cancer: Synthesis and Evaluation of Methylated Epigallocatechin, Gallocatechin, and Dihydromyricetin Derivatives
  作者：Iris L. K. Wong、Bao-Chao Wang、Jian Yuan、Liang-Xing Duan、Zhen Liu、Tao Liu、Xue-Min Li、Xuesen Hu、Xiao-Yu Zhang、Tao Jiang、Sheng-Biao Wan、Larry M. C. Chow

  DOI：10.1021/acs.jmedchem.5b00085

  日期：2015.6.11

  We are interested in developing novel natural product-derived P-gp inhibitors to reverse cancer drug resistance. Here, we have synthesized 55 novel derivatives of methylated epigallocatechin (EGC), gallocatechin (GC), and dihydromyricetin (DHM). Three EGC derivatives (23, 35, and 36) and three GC derivatives (50, 51, and 53) are significantly better than epigallocatechin gallate (EGCG) with a relative fold (RF) ranging from 31.4 to 53.6. The effective concentration (EC50) of 23 and 51 ranges from 102 to 195 nM. Compounds 23 and 51 are noncytotoxic to fibroblasts with IC50 > 100 mu M. Compound 23 is specific for P-gp without modulating activity toward MITI or BCRP. Compounds 23 and 51 are non-P-gp substrates. Important pharmacophores for P-gp modulation were identified. In summary, methylated EGC and GC derivatives represent a new class of potent, specific, noncytotoxic, and nonsubstrate P-gp modulators.
• ANTIBIOTIC CARBAPENEM DERIVATIVES
  申请人：ZENECA LIMITED

  公开号：EP0584085B1

  公开（公告）日：1998-09-09