12-甲基-十三醇 | 21987-21-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 12-甲基-十三醇
• 中文别名: 12-甲基十三醇；12-甲基十三烷-1-醇
• 英文名称: 12-methyl-1-tridecanol
• 英文别名: 12-methyltridecan-1-ol
• CAS: 21987-21-3
• 化学式: C₁₄H₃₀O
• 分子量: 214.392
• InChiKey: ZXUOFCUEFQCKKH-UHFFFAOYSA-N

物化性质

• 熔点：
  10.5℃
• 沸点：
  275.7±8.0℃ (760 Torr)
• 密度：
  0.832±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  110.4±6.5℃
• LogP：
  6.005 (est)
• 保留指数：
  1625

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2905199090

反应信息

• 作为反应物：
  描述：

  12-甲基-十三醇 在 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 3-((12-methyltridecyl)oxy)propan-1-ol
  参考文献：
  名称：

  WO2007/130783

  摘要：

  公开号：
• 作为产物：
  描述：

  12-甲基十三烷酸 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以90%的产率得到12-甲基-十三醇
  参考文献：
  名称：

  Biotechnological Production of Methyl-Branched Aldehydes

  摘要：

  A number of methyl-branched aldehydes impart interesting flavor impressions, and especially 12-methyltridecanal is a highly sought after flavoring compound for savory foods. Its smell is reminiscent of cooked meat and tallow. For the biotechnological production of 12-methyltridecanal, the literature was screened for fungi forming iso-fatty acids. Suitable organisms were identified and successfully grown in submerged cultures. The culture medium was optimized to increase the yields of branched fatty acids. A recombinant carboxylic acid reductase was used to reduce 12-methyltridecanoic acid to 12-methyltridecanal. The efficiency of whole-cell catalysis was compared to that of the purified enzyme preparation. After lipase catalyzed hydrolysis of the fungal lipid extracts, the released fatty acids were converted to the corresponding aldehydes, including 12-methyltridecanal and 12-methyltetradecanal.

  DOI：

  10.1021/acs.jafc.6b04793

文献信息

• Method for the production of polyetherols
  申请人：Bohres Edward

  公开号：US20050245770A1

  公开（公告）日：2005-11-03

  The present invention relates to a process for preparing a polyetherol which comprises reacting at least one alkylene oxide with at least one starter compound in the presence of a catalyst of the formula I: M 1 p [M 2 q O n (OH) 2(3−n) ] x (I), and to the polyetherols prepared by such a process and to their use for the synthesis of polyurethanes, as fuel additive or as surfactant.

  本发明涉及一种制备聚醚醇的方法，包括在催化剂的存在下，将至少一种环氧烷与至少一种起始剂化合物反应，所述催化剂的化学式为： M1p[M2qOn(OH)2(3−n)]x(I)， 以及通过这种方法制备的聚醚醇，以及它们用于合成聚氨酯、作为燃料添加剂或表面活性剂的用途。
• Substituted melatonin derivatives, process for their preparation, and methods of use
  申请人：Tao Chunlin

  公开号：US20070191463A1

  公开（公告）日：2007-08-16

  The invention provides 2 aryl substituted derivatives of melatonin. The invention further provides pharmaceutical compositions comprising such derivatives, methods for preparing such derivatives, and methods of using such derivatives to induce general anesthesia, sedation, and/or hypnotic or sleep effects in a patient, and to treat conditions affected by melatonin activity in a patient.

  这项发明提供了2种芳基取代的褪黑激素衍生物。该发明还提供了包括这些衍生物的药物组合物，制备这些衍生物的方法，以及利用这些衍生物在患者中诱导全身麻醉、镇静和/或催眠或睡眠效果，并治疗受褪黑激素活性影响的患者病况的方法。
• ESTERS AND AMIDES AS PLA2 INHIBITORS
  申请人：——

  公开号：US20020019416A1

  公开（公告）日：2002-02-14

  1 The present invention relates to a novel fatty acid derivative of formula (I), wherein R 1 is acyl group; R 2 is acyl(lower)alkyl; R 3 is hydrogen, aryl(lower)alkyl, etc.; R 4 is acyl(lower)alkyl; and X is —O—, —NH— or formula (II) [wherein R 5 is lower alkyl, etc.]; and a pharmaceutically acceptable salt thereof, which is useful as a medicament; the processes for the preparation of said fatty acid derivative or a salt thereof; a pharmaceutical composition comprising said fatty acid derivative or a pharmaceutically acceptable salt thereof; etc.

  本发明涉及一种新颖的脂肪酸衍生物，其化学式为（I），其中R1是酰基；R2是酰基（较低）烷基；R3是氢，芳基（较低）烷基等；R4是酰基（较低）烷基；X为—O—，—NH—或化学式（II）[其中R5为较低烷基等]；及其药学上可接受的盐，可用作药物；制备所述脂肪酸衍生物或其盐的方法；包含所述脂肪酸衍生物或其药学上可接受的盐的药物组合物等。
• Synthesis, metabolic stability and antiviral evaluation of various alkoxyalkyl esters of cidofovir and 9-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]adenine
  作者：Jacqueline Ruiz、James R. Beadle、R. Mark Buller、Jill Schreiwer、Mark N. Prichard、Kathy A. Keith、Kenneth C. Lewis、Karl Y. Hostetler

  DOI：10.1016/j.bmc.2011.03.034

  日期：2011.5

  adenovirus, herpesviruses and other dsDNA viruses. This class of lipid analogs is potentially prone to undergo omega oxidation of the alkyl moiety which can lead to a short chain carboxylic acid lacking antiviral activity. To address this issue, we synthesized a series of alkoxyalkyl or alkyl glycerol esters of CDV and (S)-HPMPA having modifications in the structure of the alkyl residue. Antiviral activity was

  西多福韦 (CDV) 烷氧基烷基酯是口服活性剂，可抑制多种双链 DNA (dsDNA) 病毒的复制，包括天花、牛痘、鼠疫、单纯疱疹病毒、巨细胞病毒、腺病毒等。其中一种化合物十六​​烷氧基丙基-CDV（HDP-CDV，CMX001）正处于临床开发阶段，用于预防和治疗痘病毒感染、疫苗接种并发症以及由巨细胞病毒、腺病毒、疱疹病毒和其他双链DNA病毒引起的感染。这类脂质类似物可能容易发生烷基部分的 omega 氧化，这会导致短链羧酸缺乏抗病毒活性。为了解决这个问题，我们合成了一系列 CDV 的烷氧基烷基或烷基甘油酯和（S)-HPMPA 在烷基残基的结构中具有修饰。在感染了牛痘、牛痘或牛痘病毒的细胞中评估了抗病毒活性。在来自大鼠、豚鼠、猴和人肝脏的 S9 膜组分中测定代谢稳定性。所有化合物在被牛痘、牛痘或牛痘感染的细胞中均具有显着的抗病毒活性。在猴肝 S9 孵育中，代谢稳定性最低，其中注意到HDP-CDV
• Synthesis and evaluation of analogues of the glycinocin family of calcium-dependent antibiotics
  作者：Leo Corcilius、Dennis Y. Liu、Jessica L. Ochoa、Roger G. Linington、Richard J. Payne

  DOI：10.1039/c8ob01268g

  日期：——

  cyclolipopeptide antibiotics that are structurally related to the clinically approved antibiotic daptomycin. In this article, we describe the synthesis of a small library of glycinocin analogues that differ by variation in the exocyclic fatty acyl substituent. The glycinocin analogues were screened against a panel of Gram-positive bacteria (as well as Gram-negative P. aeruginosa). These analogues exhibited

  甘氨酸霉素是一类钙依赖性酸性环脂肽抗生素，其结构与临床批准的抗生素达托霉素有关。在本文中，我们描述了一个小型的甘氨酸霉素类似物文库的合成，该文库因环外脂肪酰基取代基的变化而不同。针对一组革兰氏阳性细菌（以及革兰氏阴性铜绿假单胞菌）筛选了甘氨霉素类似物。这些类似物对母体天然产物对革兰氏阳性细菌表现出相似的钙依赖性活性，但对铜绿假单胞菌则无活性。。脂肪酸的长度显示出对于最佳的生物学活性很重要，而α，β位置的杂交和脂肪酰基链内的分支对活性仅具有微妙的影响。