4-辛基酚乙氧基化物 | 51437-89-9

• 物质功能分类: 食品添加剂 - 防腐剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-辛基酚乙氧基化物
• 中文别名: 聚氧乙烯辛烷基苯酚醚；聚乙二醇4-叔辛基苯酯；2-(4-辛基苯氧基)乙醇；TRITON?X-114,还原型；乙烯氧基；乳化剂TX-2-TX-8；辛基酚聚氧乙烯醚；辛基苯氧聚；辛基酚一乙氧基盐；辛酚醚783
• 英文名称: 2-(4-octylphenoxy)ethanol
• 英文别名: 2-(p-Octylphenoxy)ethanol
• CAS: 51437-89-9；26636-32-8
• 化学式: C₁₆H₂₆O₂
• 分子量: 250.381
• InChiKey: BHNQPLPANNDEGL-UHFFFAOYSA-N

物化性质

• 熔点：
  48-50 °C(lit.)
• 密度：
  1.10 g/mL at 20 °C
• 闪点：
  >230 °F

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2909499000

制备方法与用途

简介

对特辛基苯酚乙氧基化物是由辛基酚与环氧乙烷在碱催化剂存在下缩聚而成。在纺织行业中，主要用作液体洗涤剂、染料色泽改进剂或乳化剂。

使用限制

2012年12月17日，在欧盟化学品管理局（ECHA）官方网站上公布的REACH法规第八批高度关注物质（SVHC）候选清单中增加了对特辛基苯酚乙氧基化物[4-(1, 1, 3, 3-四甲基丁基) 苯酚，乙氧基化]的限制。这类物质在纺织品与皮革产品中的质量分数不得超过0.1%。目前，世界上许多国家已经开始对该类物质进行单独的研究和监控。不同聚合度的对特辛基苯酚乙氧基化物具有显著差异，特别是含有1~3个乙氧基单元的短链对特辛基苯酚乙氧基化物因其生态毒性较大而更值得关注。因此，建立能够同时分离不同聚合度的对特辛基苯酚乙氧基化物的方法至关重要，尤其是针对该类短链对特辛基苯酚乙氧基化物的检测方法，这将为纺织品的生态安全和我国纺织品顺利出口提供强有力的保障。

使用限量

• GB 2760—2001：果蔬保鲜使用量为0.0075g/kg。

化学性质

对特辛基苯酚乙氧基化物是一种淡黄色至浅棕色膏状物，无臭、无味。在水中有优良的分散、扩散和乳化性能，并且具有成膜性。耐酸碱。当n=2～12时，d₄²⁰值范围为1.009～1.104；n_D²⁰值范围为1.5090～1.4870。该物质能溶于热水。

用途

• 果蔬保鲜剂
• 乳化剂
• 分散剂
• 涂膜剂
• 工业乳化剂和洗涤剂

生产方法

由辛基酚与环氧乙烷在碱催化剂存在下缩聚而成。反应物需用冰醋酸中和、双氧水漂白后方能得到浅色制品。

反应信息

• 作为反应物：
  描述：

  4-辛基酚乙氧基化物 在 18-冠醚-6 、 ammonium acetate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 methyl 2-(1-(tert-butyldimethylsilyloxy)-2-(4-octylphenoxy)ethyl)-4,5-dihydrothiazole-4-carboxylate
  参考文献：
  名称：

  Inhibition of Group IVA Cytosolic Phospholipase A₂ by Thiazolyl Ketones in Vitro, ex Vivo, and in Vivo

  摘要：

  Group WA cytosolic phospholipase A(2) (GIVA cPLA(2)) is the rate-limiting provider of pro-inflammatory mediators in many tissues and is thus an attractive target for the development of novel anti-inflammatory agents. In this work, we present the synthesis of new thiazolyl ketones and the study of their activities in vitro, in cells, and in vivo. Within this series of compounds, methyl 2-(2-(4-octylphenoxy)acetyl)thiazole-4-carboxylate (GK470) was found to be the most potent inhibitor of GIVA cPLA(2), exhibiting an X-I(50) value of 0.011 mole fraction in a mixed micelle assay and an IC50 of 300 nM in a vesicle assay. In a cellular assay using SW982 fibroblast-like synoviocytes, it suppressed the release of arachidonic acid with an IC50 value of 0.6 mu M. In a prophylactic collagen-induced arthritis model, it exhibited an anti-inflammatory effect comparable to the reference drug methotrexate, whereas in a therapeutic model, it showed results comparable to those of the reference drug Enbrel. In both models, it significantly reduced plasma PGE(2) levels.

  DOI：

  10.1021/jm500192s
• 作为产物：
  描述：

  4-辛基酚 在 二异丁基氢化铝 、 potassium carbonate 作用下， 以 乙醚 、 正己烷 、 丙酮 为溶剂， 反应 7.0h， 生成 4-辛基酚乙氧基化物
  参考文献：
  名称：

  Inhibition of Group IVA Cytosolic Phospholipase A₂ by Thiazolyl Ketones in Vitro, ex Vivo, and in Vivo

  摘要：

  Group WA cytosolic phospholipase A(2) (GIVA cPLA(2)) is the rate-limiting provider of pro-inflammatory mediators in many tissues and is thus an attractive target for the development of novel anti-inflammatory agents. In this work, we present the synthesis of new thiazolyl ketones and the study of their activities in vitro, in cells, and in vivo. Within this series of compounds, methyl 2-(2-(4-octylphenoxy)acetyl)thiazole-4-carboxylate (GK470) was found to be the most potent inhibitor of GIVA cPLA(2), exhibiting an X-I(50) value of 0.011 mole fraction in a mixed micelle assay and an IC50 of 300 nM in a vesicle assay. In a cellular assay using SW982 fibroblast-like synoviocytes, it suppressed the release of arachidonic acid with an IC50 value of 0.6 mu M. In a prophylactic collagen-induced arthritis model, it exhibited an anti-inflammatory effect comparable to the reference drug methotrexate, whereas in a therapeutic model, it showed results comparable to those of the reference drug Enbrel. In both models, it significantly reduced plasma PGE(2) levels.

  DOI：

  10.1021/jm500192s

文献信息

• [EN] CRYSTALLINE AND LIQUID CRYSTALLINE 25-HYDROXY-CHOLEST-5-EN-3-SULFATE SODIUM AND METHODS FOR PREPARING SAME<br/>[FR] 25-HYDROXY-CHOLEST-5-EN-3-SULFATE SODIQUE CRISTALLIN ET CRISTALLIN LIQUIDE ET SES PROCÉDÉS DE PRÉPARATION
  申请人：DURECT CORP

  公开号：WO2021133976A1

  公开（公告）日：2021-07-01

  Crystalline and liquid crystalline forms of 25HC3S sodium are described herein. The disclosure includes Forms I, II, III, V, IX, XI, and XIII of 25HC3S sodium and combinations thereof. Pharmaceutical formulations of said forms, or combinations thereof, and methods of treating or preventing disease such as hypercholesterolemia, hypertriglyceridemia, and conditions related to fat accumulation and inflammation (e.g., non-alcoholic fatty liver disease (NAFLD), non-alcoholic steatohepatitis (NASH), alcoholic hepatitis, acute kidney injury (AKI), psoriasis, and atherosclerosis) are further disclosed herein. Methods for preparing 25HC3S are also provided

  本文描述了25HC3S钠的结晶和液晶形式。公开包括25HC3S钠的I、II、III、V、IX、XI和XIII形式及其组合。还公开了所述形式或其组合的药物配方，以及治疗或预防高胆固醇血症、高甘油三酯血症以及与脂肪积累和炎症相关的疾病（例如非酒精性脂肪肝病（NAFLD）、非酒精性脂肪性肝炎（NASH）、酒精性肝炎、急性肾损伤（AKI）、牛皮癣和动脉粥样硬化）的方法也在此公开。还提供了制备25HC3S的方法。
• [EN] ANTIMALARIAL COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSITIONS ANTIMALARIQUES ET LEURS UTILISATIONS
  申请人：THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RES

  公开号：WO2017222996A1

  公开（公告）日：2017-12-28

  Provided herein are compounds, compositions and method of using thereof to treat or prevent malaria.

  本文提供了化合物、组合物及其使用方法，用于治疗或预防疟疾。
• [EN] ANTIINFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS<br/>[FR] COMPOSÉS 2-OXOTHIAZOLES ET 2-OXOTHIOPHÈNES ANTI-INFLAMMATOIRES ET ANTITUMORAUX
  申请人：AVEXXIN AS

  公开号：WO2014118195A1

  公开（公告）日：2014-08-07

  A compound of formula (I) wherein X is O, C O or S; Y is N or CH; R2 and R4 are each independently H, -(CH2)pCOOH, -(CH2)pCON(R5)2 or - (CH2)pCOOC 1-6alkyI; or R2 and R4 together form a 6-membered phenyl ring fused to the five membered ring; each R1 is independently selected from H, halo (e.g. fluoro or chloro), C6-10aryl, C7-12arylalkyl, C2-12alkenyl; OC1-2 alkyl, OC2-12 aikenyl or a C1-12 alkyl group; each R5 is H or C1-6 alkyl; each p is 0 to 3; n is 1 to 4; or a salt, ester, solvate, N-oxide, or prodrug thereof, e.g. a salt thereof.

  式（I）的化合物，其中X为O、CO或S；Y为N或CH；R2和R4分别独立地为H、-(CH2)pCOOH、-(CH2)pCON(R5)2或-(CH2)pCOOC 1-6alkyI；或R2和R4一起形成与五元环融合的六元苯环；每个R1独立地选自H、卤素（例如氟或氯）、C6-10芳基、C7-12芳基烷基、C2-12烯基；OC1-2烷基、OC2-12烯基或C1-12烷基基团；每个R5为H或C1-6烷基；每个p为0至3；n为1至4；或其盐、酯、溶剂化合物、N-氧化物或前药，例如其盐。
• Metal oxide coated ceramic corrugated plate catalyst, preparation and application in preparation of key intermediates of citral
  申请人：ZHEJIANG NHU COMPANY LTD.

  公开号：US10974225B1

  公开（公告）日：2021-04-13

  The present disclosure belongs to the technical field of catalysis, and particularly relates to a metal oxide coated ceramic corrugated plate catalyst, its preparation method and application thereof in preparation of key intermediates of citral. The catalyst consists of a ceramic corrugated plate carrier and a metal oxide active layer coated on a surface of the carrier, wherein the metal oxide active layer is a metal oxide formed by active ingredient titanium and at least four other metal elements selected from vanadium, chromium, manganese, iron, zirconium, niobium and molybdenum.

  本公开涉及催化技术领域，特别涉及一种金属氧化物涂覆的陶瓷波纹板催化剂，其制备方法以及在柠檬醛关键中间体制备中的应用。该催化剂由陶瓷波纹板载体和涂覆在载体表面的金属氧化物活性层组成，其中金属氧化物活性层是由活性成分钛和至少四种其他金属元素（从钒、铬、锰、铁、锆、铌和钼中选择）形成的金属氧化物。
• [EN] POLYMERIC HYPERBRANCHED CARRIER-LINKED PRODRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS POLYMÉRIQUES HYPERBRANCHÉS
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013024048A1

  公开（公告）日：2013-02-21

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I),wherein POL is a polymeric moiety,each Hyp is independently a hyperbranched moiety,each moiety SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, m is 0 or 1, each n is independently an integer from 2 to 200 and each x is independently 0 or 1. It further relates to pharmaceutical compositions comprising said water- soluble carrier-linked prodrugs and methods of treatment.

  本发明涉及水溶性载体连接的前药，其化学式为（I），其中POL是聚合物基团，每个Hyp是独立的超支化基团，每个基团SP是独立的间隔基团，每个L是独立的可逆前药连接基团，m为0或1，每个n是独立的整数，范围从2到200，每个x是独立的0或1。此外，还涉及包含所述水溶性载体连接的前药的药物组合物和治疗方法。