1,3-butylene glycol monostearate | 14251-38-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1,3-butylene glycol monostearate
• 英文别名: 1,3-butylene glycol monostearat；1,3-butanediol monostearate；1,3-Butylene glycol 1-stearate；3-hydroxybutyl octadecanoate
• CAS: 14251-38-8
• 化学式: C₂₂H₄₄O₃
• 分子量: 356.59
• InChiKey: DXJKELXFOSBWCK-UHFFFAOYSA-N

物化性质

• 沸点：
  426.6±18.0 °C(Predicted)
• 密度：
  0.907±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  25
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3-丁二醇 、 硬脂酸 在 sulfonic acid-functionalized periodic mesoporous organosilicas with ethyl bridging group 作用下， 反应 24.0h， 生成 1,3-butylene glycol distearate 、 1,3-butylene glycol monostearate 、 stearic acid, hydroxyethyl ethyl ester
  参考文献：
  名称：

  磺酸官能化的周期性介孔有机硅在酯化和选择性酰化反应中的作用†

  摘要：

  在各种醇和脂肪酸的酯化反应中，研究了具有苯基（1a）或乙基（1b）桥基的磺酸官能化的周期性介孔有机硅（PMO）的应用。发现在所述反应中1b始终表现出比1a更高的催化性能。特别是，有人提出1b在脂肪酸与甲醇的酯化反应中具有优异的催化活性是乙基PMO催化剂中足够的疏水-亲水表面平衡的结果。此外，还研究了十二烷酸与1,3-丁二醇的化学选择性酰化反应，以及各种介孔二氧化硅负载的固体磺酸，包括两种图1a和1b暗示在反应选择性和所用催化剂的表面物理化学性质之间存在折衷。我们的结果清楚地表明，具有高表面亲水性的催化剂对单酰化产物的形成具有高选择性，而具有相对高疏水特性的催化剂对二酰化产物的形成具有增强的选择性。

  DOI：

  10.1039/c5cy00267b

文献信息

• Kappa agonist compounds and pharmaceutical formulations thereof
  申请人：——

  公开号：US20030144272A1

  公开（公告）日：2003-07-31

  Compounds having kappa opioid agonist activity, compositions containing them and method of using them as analgesics are provided. The compounds of formulae I, II, IIA, III, IIIA, IIIB, IIIB-i, IV and IVA have the structure: 1 2 wherein R 1 , R 2 , R 3 , R 4 ; and X, X 4 , X 5 , X 7 , X 9 ; Y, Z and n are as described in the specification.

  提供具有kappa阿片受体激动剂活性的化合物，含有这些化合物的组合物以及使用它们作为镇痛剂的方法。 具有以下结构的化合物I、II、IIA、III、IIIA、IIIB、IIIB-i、IV和IVA： 1 2 其中 R 1 ，R 2 ，R 3 ，R 4 ；和 X，X 4 ，X 5 ，X 7 ，X 9 ； Y，Z和n如规范中所述。
• CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS
  申请人：Bapat Abhijit S.

  公开号：US20140364595A1

  公开（公告）日：2014-12-11

  The invention provides conjugate-based antifungal or antibacterial prodrugs formed by coupling at least one anti-fungal agent or antibacterial agent with at least one linker and/or carrier. The prodrugs are of formula: (i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; or (iv) (AFA) m″ -X, wherein: AFA is an antifungal agent or an antibacterial agent; L is a carrier; X is a linker; m ranges from 1 to 10; n ranges from 2 to 10; m′ is 1 to 10; p is 1 to 10; n′ is 1 to 10; and q is 1 to 10, provided that q′ and n are not both 1; and m″ is 1 to 10. The invention also provides nanoparticles comprising the conjugate-based prodrugs. Additionally, the invention also provides non-conjugated antifungal and antibacterial agents in the form of nanoparticles.

  该发明提供了由至少一种抗真菌剂或抗菌剂与至少一种连接剂和/或载体偶联形成的基于共轭的抗真菌或抗菌前药。这些前药的公式为：(i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; 或 (iv) (AFA) m″ -X，其中：AFA是抗真菌剂或抗菌剂；L是载体；X是连接剂；m范围从1到10；n范围从2到10；m′为1到10；p为1到10；n′为1到10；q为1到10，前提是q'和n不同时为1；m″为1到10。该发明还提供了包含基于共轭的前药的纳米粒子。此外，该发明还提供了以纳米粒子形式的非共轭抗真菌和抗菌剂。
• Skin lightening agents, compositions and methods
  申请人：Harichian Bijan

  公开号：US20050191250A1

  公开（公告）日：2005-09-01

  Disclosed are coumarin derived compounds of formula I as skin lightening agents alone or in combination with other skin benefit agents and together with a cosmetic vehicle: Where each or both R 1 and/or R 2 represents hydrogen (H); linear or branched, saturated or unsaturated C 1 -C 12 alkyl, alkenyl, acyl, or heteroalkyl (preferably, alkoxy) groups; and R 3 represents linear or branched, cyclic or acyclic, saturated or unsaturated C 1 -C 12 alkyl, alkenyl, cycloalkyl, cycloalkenyl, or heteroalkyl group; and R 4 represents a hydrogen atom (H); straight or branched, cyclic or acyclic, saturated or unsaturated, containing or not containing a heteroatom C 1 -C 22 alkyl, alkenyl, cycloalkyl, cycloalkenyl, heteroalkyl, aryl, or heteroaryl group. In a most preferred embodiment, each R 1 , R 2 and R 4 represent H, while R 3 represents a methyl group, referred to herein as a 4-methyl 7-hydroxy-coumarin derivative, or coumarin derived resorcinol derivative, which may be prepared by catalytic (nickel or paladium catalyst) hydrogenation of 4-methyl 7-hydroxy-coumarin followed by hydrolysis. The inventive compounds, compositions and methods have effective skin lightening properties, may be less irritating to the skin, and are cost-effective and relatively simple to manufacture. Also disclosed are processes for making the inventive compounds of general formula I from 4-substituted-7-hydroxy coumarin derivatives.

  揭示了一种公式I的香豆素衍生化合物，作为皮肤美白剂，可以单独使用或与其他皮肤益处剂以及化妆品载体结合使用：其中R1和/或R2表示氢（H）；线性或支链的，饱和或不饱和的C1-C12烷基，烯基，酰基或杂烷基（优选为烷氧基）基团；R3表示线性或支链的，环状或非环状的，饱和或不饱和的C1-C12烷基，烯基，环烷基，环烯基或杂烷基基团；R4表示氢原子（H）；直链或支链的，环状或非环状的，饱和或不饱和的，含有或不含有杂原子的C1-C22烷基，烯基，环烷基，环烯基，杂烷基，芳基或杂芳基基团。在最优选的实施方式中，每个R1，R2和R4代表H，而R3代表一个甲基基团，这里称为4-甲基7-羟基香豆素衍生物，或香豆素衍生的邻苯二酚衍生物，可以通过对4-甲基7-羟基香豆素进行催化（镍或钯催化剂）氢化后接着水解制备得到。这些创新的化合物、组合物和方法具有有效的皮肤美白性能，可能对皮肤刺激较小，并且在制造上具有成本效益且相对简单。还公开了从4-取代-7-羟基香豆素衍生物制备一般公式I的创新化合物的方法。
• Novel Sirtuin Activating Compounds and Methods for Making the Same
  申请人：Andrus Merritt B.

  公开号：US20080255382A1

  公开（公告）日：2008-10-16

  The present invention includes methods for preparing resveratrol, resveratrol esters and substituted and unsubstituted stilbenes of the formula given below; where each Y is —O or halogen, each Z is —O or halogen, each n and each m is independently the value of 0, 1, 2, 3, 4 or 5, each A and each B is independently selected from P n , R or absent, each V and each W is independently selected from P n , straight or branched alkyl of from (2) to (6) carbon atoms and cycloalkyl of from (3) to (8) carbon atoms, alkoxy, phenyl, benzyl or halogen, R is independently selected from the group comprising alkyl with at least one carbon atom, aryl and aralkyl, P n is an alcohol protecting group and diastereoisomers of the foregoing. The compounds are made from a multi-step process including a N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners. These compounds show increased stability for use in the food, cosmetic and pharmaceutical industries.

  本发明涉及一种制备白藜芦醇、白藜芦醇酯和给定以下结构式的取代和未取代的stilbenes的方法；其中每个Y是—O或卤素，每个Z是—O或卤素，每个n和每个m独立地取值为0、1、2、3、4或5，每个A和每个B独立地从Pn、R或缺席中选择，每个V和每个W独立地从Pn、由（2）到（6）个碳原子的直链或支链烷基和由（3）到（8）个碳原子的环烷基、烷氧基、苯基、苄基或卤素中选择，R独立地从包括至少一个碳原子的烷基、芳基和芳基烷基的群体中选择，Pn是醇保护基和上述化合物的对映异构体。这些化合物是通过多步过程制备的，其中包括在碱存在下与苄基卤和苯乙烯偶联合成N-杂环碳型配体偶联。这些化合物在食品、化妆品和制药行业中显示出增强的稳定性。
• ISOMETHEPTENE ISOMER
  申请人：TONIX PHARMACEUTICALS INC.

  公开号：US20140212486A1

  公开（公告）日：2014-07-31

  The invention relates to a purified Isometheptene compound comprising the structure according to Formula (I), or a hydrochloride, or a pharmaceutically acceptable addition salt thereof. In particular, the disclosure relates to the synthesis, purification and characterization of an Isometheptene isomer mucate crystal 2, wherein the Isometheptene isomer 2 is stereochemically characterized as (R)-enantiomer, respectively. The Isometheptene (R)-enantiomer activity indicates a selective centrally acting selective ligand for Imidazoline subtype 1 (I1) receptor sites; and more specifically, the disclosure provides an antihypertensive composition for treatment of migraine and other neurovascular or neurogenic pain from abdominal distress. (R)-Isometheptene enantiomer or isomer 2 may be an anti-hypertensive agent with lower side effects than the racemate form. Therefore (R)-Isometheptene is believed to be effective against episodic tension-type headaches (ETTH). The (R)-Isometheptene enantiomer or isomer 2 is believed to effectively lower blood pressure, used alone or together with other headache ameliorating drugs. Methods of synthesis and treatment are described. Regarding (R)-Isometheptene crystals data of X-ray crystallography are presented.

  该发明涉及一种纯化的异甲苯丙胺化合物，其结构符合式(I)，或其盐酸盐，或其药用上可接受的加合物。具体而言，该公开涉及异甲苯丙胺异构体粘酸晶体2的合成、纯化和表征，其中异甲苯丙胺异构体2的立体化学特性为(R)-对映体。异甲苯丙胺(R)-对映体活性表明其为咪唑啉亚型1(I1)受体位点的选择性中枢作用选择性配体；更具体地，该公开提供了一种用于治疗偏头痛和其他源自腹部不适的神经血管性或神经源性疼痛的降压组合物。异甲苯丙胺(R)-对映体或异构体2可能是一种抗高血压药物，其副作用较盐酸异甲苯丙胺的形式更少。因此，人们认为异甲苯丙胺(R)对映体对阵发性张力型头痛(ETTH)有效。异甲苯丙胺(R)对映体或异构体2被认为能有效降低血压，可单独使用或与其他缓解头痛药物一起使用。描述了合成和治疗方法。关于异甲苯丙胺(R)晶体的X射线衍射数据已被提供。