N-辛基咪唑-1-甲酰胺 | 93605-62-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N-辛基咪唑-1-甲酰胺
• 英文名称: 1-octyl carbamoylimidazole
• 英文别名: N-octyl-1H-imidazole-1-carboxamide；1-N-(octylaminocarbonyl)imidazole；N-octylimidazole-1-carboxamide
• CAS: 93605-62-0
• 化学式: C₁₂H₂₁N₃O
• 分子量: 223.318
• InChiKey: SKUWNJBAAZWAQF-UHFFFAOYSA-N

物化性质

• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-甲基-D-葡胺 、 N-辛基咪唑-1-甲酰胺 以 甲醇 为溶剂， 以55%的产率得到N-(1-deoxy-D-glucitol-1-yl)-N-methyl-N'-octylurea
  参考文献：
  名称：

  Cosmetic and dermatological compositions containing aminoalcohol

  摘要：

  本发明涉及含有尿素功能团的氨基醇衍生物，其对应于以下通式：##STR1## 其中：R1代表具有8至22个碳原子的直链或支链、饱和或不饱和烷基基团；R2代表氢原子或具有1至6个碳原子的直链或支链、饱和烷基基团；R3代表具有1至10个碳原子的直链或支链、单羟基化或多元羟基化、饱和烷基基团，用于制备化妆品或皮肤病学组合物。这些化合物特别用作皮肤护理产品中的保湿剂，或作为头发产品中的调理剂。

  公开号：

  US06010707A1
• 作为产物：
  描述：

  辛胺 在 N,N'-羰基二咪唑 作用下， 以 N-甲基乙酰胺 、 水 、 乙酸乙酯 为溶剂， 以86%的产率得到N-辛基咪唑-1-甲酰胺
  参考文献：
  名称：

  Cosmetic and dermatological compositions containing aminoalcohol

  摘要：

  本发明涉及含有尿素功能团的氨基醇衍生物，其对应于以下通式：##STR1## 其中：R1代表具有8至22个碳原子的直链或支链、饱和或不饱和烷基基团；R2代表氢原子或具有1至6个碳原子的直链或支链、饱和烷基基团；R3代表具有1至10个碳原子的直链或支链、单羟基化或多元羟基化、饱和烷基基团，用于制备化妆品或皮肤病学组合物。这些化合物特别用作皮肤护理产品中的保湿剂，或作为头发产品中的调理剂。

  公开号：

  US06010707A1

文献信息

• Cosmetic and dermatological compositions containing aminoalcohol derivatives containing a urea functional group and uses thereof
  申请人：L'Oreal

  公开号：US06335024B2

  公开（公告）日：2002-01-01

  The invention relates to the use of aminoalcohol derivatives containing a urea functional group corresponding to the following formula: in which: R1 represents a linear or branched, saturated or unsaturated alkyl radical having from 8 to 22 carbon atoms; R2 represents a hydrogen atom or a linear or branched, saturated alkyl radical having from 1 to 6 carbon atoms; R3 represents a linear or branched, monohydroxylated or polyhydroxylated, saturated alkyl group having from 1 to 10 carbon atoms, in and for the preparation of cosmetic or dermatological compositions. These compounds are used in particular as moisturizing agents in care products for the skin or as conditioning agents in hair products.

  本发明涉及含有脲功能团的氨基醇衍生物，其对应于以下通式：其中：R1代表具有8至22个碳原子的直链或支链、饱和或不饱和的烷基基团；R2代表氢原子或具有1至6个碳原子的直链或支链、饱和的烷基基团；R3代表具有1至10个碳原子的直链或支链、单羟基化或多元羟基化、饱和的烷基基团，用于制备化妆品或皮肤病学组合物。这些化合物特别用作皮肤护理产品中的保湿剂或头发产品中的调理剂。
• Catalytic Site-Selective Carbamoylation of Pyranosides
  作者：Jérôme Alsarraf、Lucas Petitpoisson、André Pichette

  DOI：10.1021/acs.orglett.1c02116

  日期：2021.8.6

  Carbamate-bearing carbohydrates contribute to the pharmacological properties of various natural glycosides. The catalytic site-selective carbamoylation of minimally protected pyranosides was achieved for the first time to bypass protection/deprotection sequences. 1-Carbamoylimidazoles were used as the carbamoylation reagents to circumvent the harmful and unstable phosgene and isocyanates. This borinic

  含氨基甲酸酯的碳水化合物有助于各种天然糖苷的药理特性。首次实现了最低限度保护的吡喃糖苷的催化位点选择性氨基甲酰化，以绕过保护/脱保护序列。1-氨基甲酰咪唑被用作氨基甲酰化试剂以规避有害且不稳定的光气和异氰酸酯。这种硼酸催化的转化使博来霉素和类似物的肿瘤细胞结合氨基甲酰甘露糖苷部分能够以 56% 至 89% 的产率获得。
• Amino acid derived latent isocyanates: irreversible inactivation of porcine pancreatic elastase and human leukocyte elastase
  作者：William C. Groutas、William R. Abrams、Michael C. Theodorakis、Annette M. Kasper、Steven A. Rude、Robert C. Badger、Timothy D. Ocain、Kevin E. Miller、Min K. Moi

  DOI：10.1021/jm00380a010

  日期：1985.2

  were found to inhibit irreversibly both enzymes. Compound 10 was found to be a specific and selective inhibitor of human leukocyte elastase. In contrast to these, inhibitors derived from glycine methyl ester 1, D-valine methyl ester 4, and D-norvaline methyl ester 6 were found to be inactive. The results of the present study show that latent isocyanates derived from appropriate amino acids can serve as

  已经合成了几种氨基酸衍生的偶氮内酯（I），并研究了它们对人白细胞弹性蛋白酶和猪胰弹性蛋白酶的抑制活性。发现抑制活性取决于前体氨基酸酯的性质。因此，发现衍生自L-缬氨酸甲酯3，L-正缬氨酸甲酯5，DL-正亮氨酸甲酯9和L-甲硫氨酸甲酯10的化合物不可逆地抑制两种酶。发现化合物10是人白细胞弹性蛋白酶的特异性和选择性抑制剂。与这些相反，发现衍生自甘氨酸甲酯1，D-缬氨酸甲酯4和D-去甲缬氨酸甲酯6的抑制剂是无活性的。
• Cosmetic and dermatological compositions containing aminoalchohol derivatives containing a urea functional group and uses thereof
  申请人：L'OREAL

  公开号：US20010007675A1

  公开（公告）日：2001-07-12

  The invention relates to the use of aminoalcohol derivatives containing a urea functional group corresponding to the following formula: 1 in which: R 1 represents a linear or branched, saturated or unsaturated alkyl radical having from 8 to 22 carbon atoms; R 2 represents a hydrogen atom or a linear or branched, saturated alkyl radical having from 1 to 6 carbon atoms; R 3 represents a linear or branched, monohydroxylated or polyhydroxylated, saturated alkyl group having from 1 to 10 carbon atoms, in and for the preparation of cosmetic or dermatological compositions. These compounds are used in particular as moisturizing agents in care products for the skin or as conditioning agents in hair products.

  本发明涉及使用含有尿素官能团的氨基醇衍生物，其对应于以下式子1： 其中：R1代表具有8到22个碳原子的线性或支链饱和或不饱和烷基基团；R2代表氢原子或具有1到6个碳原子的线性或支链饱和烷基基团；R3代表具有1到10个碳原子的线性或支链单羟基或多羟基饱和烷基基团，用于制备化妆品或皮肤科学组合物。这些化合物特别用作皮肤护理产品中的保湿剂或头发产品中的调理剂。
• FLAVOUR MODULATING SUBSTANCES
  申请人：Winkel Chris

  公开号：US20100129515A1

  公开（公告）日：2010-05-27

  The present invention in a first aspect relates to flavour modulation in foodstuffs, beverages, tobacco products and oral care products, using a flavour modulating substance selected from the group represented by formula (I), edible salts thereof and edible esters thereof. It has been found that these substances are capable imparting highly desirable taste attributes in the products they are incorporated in. In addition said flavour modulating substances are capable of modulating and complementing, the sensory impact of other, taste imparting, substances. Thus, the present substances are advantageously applied in flavour compositions, foodstuffs, tobacco products and oral care products. Typical examples of flavour modulating substances according to the present invention include N-vanillyl urea, N-vanillyl thiourea, N-vanillyl guanidine, N-isovanillyl urea, N-(3-ethoxy-4-hydroxybenzyl) urea, N-(3,4 dimethoxybenzyl) urea, N,N′-divanillyl urea, N,N′-divanillyl thiourea, N-octyl-N′-vanillyl urea, N-octyl-N′-vanillyl thiourea, N-hexyl-N′-vanillyl urea, N-hexyl-N′-vanillyl thiourea, N-decyl-N′-vanillyl urea, N-decyl-N′-vanillyl thiourea, N-benzyl-N′-vanillyl urea, N-benzyl-N′-vanillyl thiourea, edible salts thereof and edible esters thereof.

  本发明在第一方面涉及使用从式(I)所代表的化合物组中选择的调味调节物质、其可食用盐和可食用酯，对食品、饮料、烟草制品和口腔护理产品中的味道进行调节。已经发现这些物质能够在它们被加入的产品中赋予高度可取的口感特性。此外，所述调味调节物质能够调节和补充其他具有口感影响的物质的感官影响。因此，本发明的物质优点地应用于调味组合物、食品、烟草制品和口腔护理产品中。根据本发明的典型的调味调节物质包括N-香草基尿素，N-香草基硫脲，N-香草基胍，N-异香草基尿素，N-(3-乙氧基-4-羟基苯基)尿素，N-(3,4-二甲氧基苯基)尿素，N,N'-二香草基尿素，N,N'-二香草基硫脲，N-辛基-N'-香草基尿素，N-辛基-N'-香草基硫脲，N-己基-N'-香草基尿素，N-己基-N'-香草基硫脲，N-癸基-N'-香草基尿素，N-癸基-N'-香草基硫脲，N-苄基-N'-香草基尿素，N-苄基-N'-香草基硫脲，其可食用盐和可食用酯。