7-甲基壬酸 | 41653-89-8

• 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: 7-甲基壬酸
• 英文名称: 7-Methylnonanoic acid
• CAS: 41653-89-8
• 化学式: C₁₀H₂₀O₂
• mdl: MFCD02258707
• 分子量: 172.26
• InChiKey: TUIJQPRMECGEKA-UHFFFAOYSA-N

物化性质

• 沸点：
  262.98°C (estimate)
• 密度：
  0.9047 (rough estimate)
• LogP：
  3.780 (est)
• 稳定性/保质期：
  存在于烤烟和香料烟的烟叶中。

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

制备方法与用途

合成制备方法

• 烟草：OR，26；FC，40。

反应信息

• 作为产物：
  描述：

  7-methyl-6-oxononanoic acid 、 肼 、 氢氧化钾 以73%的产率得到
  参考文献：
  名称：

  CANCEILL J.; GABARD J.; JACQUES J.; BILLARD J., BULL. SOC. CHIM. FRANCE , 1975, NO 9-10, PART. 2, 2066-2072, 10

  摘要：

  DOI：

文献信息

• ESTER DERIVATIVE AND USE THEREOF
  申请人：AMINO Yusuke

  公开号：US20090170942A1

  公开（公告）日：2009-07-02

  A compound represented by the following formula (I′) wherein X 1 is a methylene group, an ethylene group, a trimethylene group or a vinylene group, X 2 is a divalent group represented by the following formula A or B, Y is an ethylene group or a vinylene group, m and n are each an integer of 0 to 7, which satisfy m+n=0 to 8, R1 and R2 are each independently a hydrogen atom, a methyl group or an ethyl group, provided that when X 1 is a methylene group, then X 2 is not a divalent group represented by the formula A, and when X 1 is a vinylene group, then X 2 is not a divalent group represented by the formula A. The compound is a stable capsinoid derivative, and is useful as an active ingredient of an external blood circulation enhancer or a cosmetic composition, a pharmaceutical composition, or a food composition.

  以下式(I')表示的化合物 其中X1是亚甲基基团，亚乙基基团，亚丙基基团或乙烯基基团，X2是由以下式A或B表示的二价基团， Y是亚乙基基团或乙烯基基团，m和n都是0到7的整数，满足m+n=0到8，R1和R2各自独立为氢原子，甲基基团或乙基基团，条件是当X1是亚甲基基团时，那么X2不是由式A表示的二价基团，并且当X1是乙烯基基团时，那么X2不是由式A表示的二价基团。该化合物是一种稳定的辣椒素衍生物，并且作为外周血液循环增强剂，化妆品组合物，药物组合物或食品组合物的有效成分是有用的。
• Topically applied circulation enhancing agent and skin and hair cosmetic and bath agent containing the same
  申请人：Sagawa Koichiro

  公开号：US20060287390A1

  公开（公告）日：2006-12-21

  A topically applied circulation enhancing agent suited for application over the entire body which has good transdermal absorptivity and causes little irritation is provided. A topically applied circulation enhancing agent is provided which contains a fatty acid ester denoted by general formula (1):

  提供一种适用于全身涂抹的促进循环的药剂，具有良好的经皮吸收性且引起少量刺激。提供一种含有一种由通用公式(1)表示的脂肪酸酯的促进循环的局部应用药剂。
• Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use
  申请人：Sankyo Company Limited

  公开号：EP0536936A1

  公开（公告）日：1993-04-14

  Compounds of formula (I): [in which: R¹, R² and R³ are the same or different and each represents a hydrogen atom, an optionally substituted alkanoyl group or an alkenylcarbonyl group, provided that at least one of R¹, R² and R³ represents an unsubstituted alkanoyl group having from 5 to 24 carbon atoms, said substituted alkanoyl group or said alkenylcarbonyl group; and one of R⁴ and R⁵ represents a hydrogen atom and the other represents a cyano group]; have valuable anti-tumour activity.

  式子（I）的化合物：[其中：R¹、R²和R³相同或不同，每个代表氢原子、可选取代的脂肪酰基团或烯基羰基团，前提是至少有一个R¹、R²和R³代表有5到24个碳原子的未取代脂肪酰基团，或者是所述取代的脂肪酰基团或所述烯基羰基团；R⁴和R⁵中的一个代表氢原子，另一个代表氰基]，具有有价值的抗肿瘤活性。
• Production method of capsinoid by dehydrating condensation, stabilizing method of capsinoid, and capsinoid composition
  申请人：Amino Yusuke

  公开号：US20070020738A1

  公开（公告）日：2007-01-25

  Capsinoids of formula (3) may be conveniently prepared in a high yield, in a short time, without using a dehydrating agent by esterification of a fatty acid of formula (1) with a hydroxymethylphenol of formula (2) using an enzyme without a solvent or in a low-polar solvent. Addition of a fatty acid represented by formula (4) is effective for stabilizing the ester compound of formula (3). wherein each symbol is as defined in the specification.

  公式（3）的辣椒素类化合物可以通过使用酶而不使用脱水剂，在无溶剂或低极性溶剂中，将公式（1）的脂肪酸与公式（2）的羟甲基酚酯化反应，高产率地、短时间内方便地制备。公式（4）表示的脂肪酸的加入对于稳定公式（3）的酯化合物是有效的。其中每个符号如规范中所定义。
• PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION
  申请人：AMINO Yusuke

  公开号：US20100152291A1

  公开（公告）日：2010-06-17

  Capsinoids of formula (3) may be conveniently prepared in a high yield, in a short time, without using a dehydrating agent by esterification of a fatty acid of formula (1) with a hydroxymethylphenol of formula (2) using an enzyme without a solvent or in a low-polar solvent. Addition of a fatty acid represented by formula (4) is effective for stabilizing the ester compound of formula (3). wherein each symbol is as defined in the specification.

  公式（3）的辣椒素类物质可以通过使用酶而不使用脱水剂，在不使用溶剂或低极性溶剂的情况下，通过将公式（1）的脂肪酸与公式（2）的羟甲基酚酯化反应，高产率地、短时间内方便地制备。公式（4）代表的脂肪酸的添加对于稳定公式（3）的酯化物也是有效的。其中每个符号如规范中所定义。