(4-甲基苄基)磷酸 | 13081-74-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-甲基苄基)磷酸
• 英文名称: 4-methylbenzylphosphonic acid
• 英文别名: p-methylbenzylphosphonic acid；(4-methyl-benzyl)-phosphonic acid；(4-Methyl-benzyl)-phosphonsaeure；4-Methylbenzylphosphonsaeure；p-Xylylphosphonsaeure；(4-methylphenyl)methylphosphonic Acid
• CAS: 13081-74-8
• 化学式: C₈H₁₁O₃P
• mdl: MFCD00961498
• 分子量: 186.147
• InChiKey: HIIOYVOBADMCAS-UHFFFAOYSA-N

物化性质

• 熔点：
  185-186 °C(Solv: water (7732-18-5))
• 沸点：
  386.9±45.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  (4-甲基苄基)磷酸 在 吡啶 、 氯化亚砜 作用下， 反应 92.0h， 生成 2-(dimethylamino)ethyl Hydrogen 4-Methylbenzylphosphonate trifluoroacetate
  参考文献：
  名称：

  Designing Anti-inflammatory Drugs from Parasitic Worms: A Synthetic Small Molecule Analogue of the Acanthocheilonema viteae Product ES-62 Prevents Development of Collagen-Induced Arthritis

  摘要：

  In spite of increasing evidence that parasitic worms may protect humans from developing allergic and autoimmune diseases and the continuing identification of defined helminth-derived immunomodulatory molecules, to date no new anti-inflammatory drugs have been developed from these organisms. We have approached this matter in a novel manner by synthesizing a library of drug-like small molecules based upon phosphorylcholine, the active moiety of the anti-inflammatory Acanthocheilonema viteae product, ES-62, which as an immunogenic protein is unsuitable for use as a drug. Following preliminary in vitro screening for inhibitory effects responses, a sulfone-containing phosphorylcholine analogue (11a) was selected for testing in collagen-induced arthritis (CIA). Testing revealed that 11a was as effective as ES-62 in protecting DBA/1 mice from developing CIA and mirrored its mechanism of action in downregulating the TLR/IL-1R transducer, MyD88. 11a is thus a novel prototype for anti-inflammatory drug development. on relevant macrophage cytokine an in vivo model of inflammation,

  DOI：

  10.1021/jm401251p
• 作为产物：
  描述：

  4-甲基氯苄 在 盐酸 、 甲苯 作用下， 生成 (4-甲基苄基)磷酸
  参考文献：
  名称：

  The Aqueous Solubility of Acetanilide

  摘要：

  DOI：

  10.1021/ja01223a046

文献信息

• Photochemical C–P Bond Cleavage of Nitrobenzylphosphonate Ions
  作者：Yoshiki Okamoto、Narimasa Iwamoto、Susumu Toki、Setsuo Takamuku

  DOI：10.1246/bcsj.60.277

  日期：1987.1

  Whereas in an aqueous solution 1,2-bis(4-nitrophenyl)ethane was produced as a main product, in an alcohol solution only p-nitrotoluene was produced. This photolysis may proceed via intramolecular electron transfer from PO32− group to nitro aromatic moiety to form an excited state, which undergoes C–P bond cleavage to give p-nitrobenzyl anion and monomeric metaphosphate anion as intermediates. The C–P

  在紫外线照射下，对硝基苄基膦酸根离子的 C-P 键在醇水溶液中以约 0.7 的量子产率裂解，得到 1,2-双（4-硝基苯基）乙烷、对硝基甲苯、正磷酸盐和烷基磷酸二氢盐。在水溶液中，主要产物是 1,2-双（4-硝基苯基）乙烷，而在醇溶液中仅产生对硝基甲苯。这种光解可以通过从 PO32− 基团到硝基芳族部分的分子内电子转移进行，形成激发态，经过 C-P 键断裂，得到对硝基苄基阴离子和单体偏磷酸根阴离子作为中间体。对硝基苄基膦酸根离子的 C-P 键断裂比邻-和间-硝基苄基膦酸根离子更容易发生。
• POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS
  申请人：Midori Renewables, Inc.

  公开号：US20150238948A1

  公开（公告）日：2015-08-27

  Provided herein are solid base catalysts useful in non-enzymatic break down of lignin in biomass. The solid base catalysts may be polymeric catalysts or solid-support base catalysts with ionic moieties. Provided are also methods for at least partially depolymerizing lignin materials into various lignin digestion products using the solid base catalysts described herein.

  本文提供了在生物质中非酶解木质素中有用的固体碱基催化剂。这些固体碱基催化剂可以是聚合物催化剂或带有离子基团的固体支撑碱基催化剂。还提供了利用本文描述的固体碱基催化剂至少部分降解木质素材料成各种木质素消化产物的方法。
• [EN] ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME<br/>[FR] COMPOSÉS ANTIBACTÉRIENS, COMPOSITIONS DE CEUX-CI ET PROCÉDÉS LES UTILISANT
  申请人：UNIV ROCKEFELLER

  公开号：WO2021242849A1

  公开（公告）日：2021-12-02

  The present disclosure includes novel compounds useful as antimicrobial agents. The present disclosure further includes methods useful The present disclosure further includes compositions and methods for treating or preventing a bacterial infection. The present disclosure further includes compositions and methods useful for preventing or reducing the growth or proliferation of microorganisms.

  本公开涉及新型化合物，可用作抗微生物剂。本公开还包括有用的方法，本公开还包括用于治疗或预防细菌感染的组合物和方法。本公开还包括用于预防或减少微生物生长或增殖的组合物和方法。
• Organic electroluminescent device
  申请人：——

  公开号：US20020028350A1

  公开（公告）日：2002-03-07

  There is provided an electroluminescent device including an anode, a cathode, and at least one organic layer sandwiched between the anode and the cathode, the organic layer including at least a red light emitting layer, the organic layer containing a compound represented with the chemical formula C1, alone or in combination: 1 wherein R 1 to R 4 each independently represents a hydrogen atom, a hydroxyl group, a substituted or unsubstituted amino group, a nitro group, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted cycloalkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted aralkyl group, wherein at least one of R 1 to R 4 is a di-aryl amino group represented with —NAr 1 Ar 2 where each of Ar 1 and Ar 2 independently indicates an aryl group having a carbon number of 6 to 20 both inclusive, wherein R 5 to R 12 each independently represents a hydrogen atom, a halogen atom, a hydroxyl group, a substituted or unsubstituted amino group, a nitro group, a cyano group, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted cycloalkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryloxy group, a substituted or unsubstituted alkoxycarbonyl group, or a carboxyl group, and wherein any two of R 1 to R 4 except diaryl amino group and R 5 to R 12 may form a ring.

  提供了一种电致发光装置，包括阳极、阴极和至少一个有机层，夹在阳极和阴极之间，有机层包括至少一个红色发光层，有机层含有一个化学式为C1的化合物，单独或组合使用：1其中，R1到R4各自独立表示氢原子、羟基、取代或未取代的氨基、硝基、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的环烷基、取代或未取代的烷氧基、取代或未取代的芳香烃基、取代或未取代的芳香杂环基或取代或未取代的芳基烷基，其中R1到R4中至少一个是二芳基氨基，表示为—NAr1Ar2，其中Ar1和Ar2各自独立表示具有6到20个碳原子的芳基，其中，R5到R12各自独立表示氢原子、卤素原子、羟基、取代或未取代的氨基、硝基、氰基、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的环烷基、取代或未取代的烷氧基、取代或未取代的芳香烃基、取代或未取代的芳香杂环基或取代或未取代的芳基烷基、取代或未取代的芳氧基、取代或未取代的烷氧羰基或羧基，其中，R1到R4中的任意两个（除二芳基氨基外）和R5到R12中的任意两个可形成环。
• Functional organic thin film, organic thin-film transistor, pi-electron conjugated molecule-containing silicon compound, and methods of forming them
  申请人：Hanato Hiroyuki

  公开号：US20060231827A1

  公开（公告）日：2006-10-19

  An organic thin film having both a chemical structure of an organic material that is a factor determining a characteristic of the thin film and a high-order structure of the thin film, for example, the crystallinity of molecules, namely, the orientation. A functional organic thin film composed of molecules the main skeleton structure portion of which is arbitrarily given electrical, optical, electrochemical function and a method for simply forming such a functional organic thin film are also disclosed. The functional organic film is formed of a silicon compound expressed by formula R 1 —SiX 1 X 2 X 3 (I) where R is an organic residue which may have a terminal replaced by a functional grou p and to which π-electron conjugate units are bonded, and X 1 , X 2 and X 3 are the same group or different groups and given a hydroxyl group by hydrolysis.

  一种有机薄膜，具有既决定薄膜特性的有机材料的化学结构，又具有薄膜的高阶结构，例如分子的结晶度，即方向性。还公开了一种由分子组成的功能性有机薄膜，其中主要骨架结构部分任意给定了电气、光学、电化学功能的方法，以及形成这种功能性有机薄膜的简单方法。该功能性有机薄膜由式R1—SiX1X2X3(I)表示的硅化合物形成，其中R是有机残基，可能具有末端被功能基替换并与π-电子共轭单元键合，X1、X2和X3是相同的或不同的基团，并通过水解给出羟基基团。