1-十二烷基-3-甲基脲 | 39804-99-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 1-十二烷基-3-甲基脲
• 英文名称: N-dodecyl-N'-methylurea
• 英文别名: 1-dodecyl-3-methylurea；N-beta dodecyl-N'-methylurea
• CAS: 39804-99-4
• 化学式: C₁₄H₃₀N₂O
• 分子量: 242.405
• InChiKey: FIGBTDOMBRNSSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-甲基甲酰胺 、 十二烷基伯胺 在 [RuH(tBu-PNP(-))(CO)] 作用下， 以 乙二醇二乙醚 为溶剂， 反应 20.0h， 以77%的产率得到1-十二烷基-3-甲基脲
  参考文献：
  名称：

  甲酰胺作为异氰酸酯替代物：一种开发原子效率、选择性催化合成尿素、氨基甲酸酯和杂环的机械驱动方法

  摘要：

  尽管异氰酸酯具有危险性，但它们仍然是散装和精细化学品合成的关键组成部分。通过用效力较低且易于获得的甲酰胺前体替代它们，我们在此展示了一种替代的机械方法，通过基于钌的钳形复合物催化的无受体脱氢偶联反应选择性地获得广泛的尿素、氨基甲酸酯和杂环。这些高原子效率程序的设计是由相关有机金属配合物的鉴定和表征驱动的，独特地表现出异氰酸酯中间体的捕获。DFT 计算进一步有助于阐明催化事件的精心编排链，涉及金属-配体合作。

  DOI：

  10.1021/jacs.9b08942

文献信息

• Amide Proton Exchange in Micelles
  作者：Charles L. Perrin、Jung-Hui Chen、Brian K. Ohta

  DOI：10.1021/ja983458y

  日期：1999.3.1

  which was unexpected. Other effects are negligible (less than a factor of about 2): counterion, nonionic surfactant, headgroup, chain length, etc. The data are discussed in terms of electrostatic effects, steric retardation, competition of counterions for the micellar surface, the Bronsted formulation of medium effects, charge exposure, and the nature of the transition state.

  在阳离子和阴离子胶束中测量了酸和碱催化的长链酰胺 NH 交换的速率常数，并与水溶液中模型酰胺的 NH 交换进行了比较。数据表明，静电环境会强烈影响速率。阴离子胶束，其中 kOH 降低约 2500 倍，kH 增加约 100 倍，显示出最大的影响。阳离子胶束的影响较小：kH 降低了 30 倍（对于尿素，或对于普通酰胺降低了 6 倍）并且 kOH 基本上没有变化，这是出乎意料的。其他影响可以忽略不计（小于约 2 的因子）：抗衡离子、非离子表面活性剂、头部基团、链长等。 根据静电效应、空间阻滞、抗衡离子对胶束表面的竞争讨论数据，
• Transdermal Pharmaceutical Compositions Including Testosterone and a C-SERM
  申请人：Professional Compounding Centers of America (PCCA)

  公开号：US20160051498A1

  公开（公告）日：2016-02-25

  Formulations for transdermal pharmaceutical compositions including a synergistic combination of low doses of testosterone with a selective estrogen receptor modulator (C-SERM) that are combined with transdermal permeation enhancers are disclosed. Transdermal pharmaceutical compositions can be designed with various release rates, and can be administered to increase bloodstream testosterone levels and thereby reduce symptoms of testosterone deficiency. Transdermal pharmaceutical compositions include liquid dosage forms, such as, for example solutions, liquid sprays, lotions, and the like. Additionally, transdermal pharmaceutical compositions include semi-solid dosage forms, such as, for example emulsions, creams, gels, pastes, ointments, and the like. Transdermal pharmaceutical compositions will deliver testosterone and C-SERM through the skin and directly into the patient's bloodstream, thereby providing high bioavailability of testosterone and C-SERM. The dosage regimen of the transdermal pharmaceutical compositions can be easily tailored for individual patients according to the baseline blood levels of testosterone and estradiol.
• Transdermal Pharmaceutical Compositions Including C-SERMs for Low Testosterone Levels in Men
  申请人：Professional Compounding Centers of America (PCCA)

  公开号：US20160051497A1

  公开（公告）日：2016-02-25

  Formulations for transdermal pharmaceutical compositions including clomiphene-like selective estrogen receptor modulators (C-SERMs) in combination with transdermal penetration enhancers are disclosed. Transdermal pharmaceutical compositions can be designed with various release rates, and are administered to increase bloodstream testosterone levels and thereby reduce symptoms of testosterone deficiency in male hypogonadism or male infertility. Transdermal pharmaceutical compositions include a range of dosage forms, such as, for example solutions, liquid sprays, lotions, emulsions, creams, pastes, and ointments, among other dosage forms that exhibit transdermal properties, and provide transdermal delivery of C-SERMs. Transdermal pharmaceutical compositions will deliver C-SERMs through the skin and directly into the patient's bloodstream, thereby providing high bioavailability of C-SERMs. The dosage regimen of the transdermal pharmaceutical compositions can be easily tailored for individual patients according to the baseline blood levels of testosterone and estradiol.
• Transdermal Pharmaceutical Compositions Including Testosterone and an Aromatase Inhibitor
  申请人：Professional Compounding Centers of America (PCCA)

  公开号：US20160051565A1

  公开（公告）日：2016-02-25

  Formulations for transdermal pharmaceutical compositions including a synergistic combination of low doses of testosterone with an aromatase inhibitor (AI) that are combined with transdermal permeation enhancers are disclosed. Transdermal pharmaceutical compositions can be designed with various release rates, and can be administered to increase bloodstream testosterone levels and thereby reduce symptoms of testosterone deficiency. Transdermal pharmaceutical compositions include liquid dosage forms, such as, for example solutions, liquid sprays, lotions, and the like. Additionally, transdermal pharmaceutical compositions include semi-solid dosage forms, such as, for example emulsions, creams, gels, pastes, ointments, and the like. Transdermal pharmaceutical compositions will deliver testosterone and AI through the skin and directly into the patient's bloodstream, thereby providing high bioavailability of testosterone and AI. The dosage regimen of the transdermal pharmaceutical compositions can be easily tailored for individual patients according to the baseline blood levels of testosterone and estradiol.
• Integumentary System Therapy
  申请人：Lebovitz Russell M.

  公开号：US20170050044A1

  公开（公告）日：2017-02-23

  Described are methods, kits, apparatus, and compositions for integumentary system therapy. For example, a method for therapy may include providing a subject in need of therapy for a condition. The condition may be associated with a substrate located in the subject's integumentary system. The method may include contacting a therapeutic agent and the substrate in the subject's integumentary system. The method may include modulating a depth of at least one ionic species in the subject's integumentary system. The at least one ionic species may include one or more of: the therapeutic agent; a bound therapeutic agent:substrate complex; and a reaction product of one or both of the therapeutic agent and the substrate. The method may be effective to at least partly ameliorate the condition in the subject.