Methyl-N,N-dimethylsebacamat | 38312-53-7

• 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: Methyl-N,N-dimethylsebacamat
• 英文别名: Methyl 10-(dimethylamino)-10-oxodecanoate
• CAS: 38312-53-7
• 化学式: C₁₃H₂₅NO₃
• 分子量: 243.346
• InChiKey: QBIPHXDSTKMJKC-UHFFFAOYSA-N

物化性质

• 沸点：
  333.9±25.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl-N,N-dimethylsebacamat 在 水 、 氢溴酸 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 21.08h， 生成 10-氧壬二酸
  参考文献：
  名称：

  一种10-氧代十九烷二酸的制备方法

  摘要：

  本申请涉及一种10‑氧代十九烷二酸的制备方法。与现有技术中的相应合成方法相比，本申请所述制备方法转化率高、副反应少，工艺简单、易于控制，安全性高，对设备要求低，适合工业化运用，具有巨大的经济潜力。

  公开号：

  CN114805049A
• 作为产物：
  描述：

  癸二酸二甲酯 在 吡啶 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 potassium hydroxide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl-N,N-dimethylsebacamat
  参考文献：
  名称：

  一种10-氧代十九烷二酸的制备方法

  摘要：

  本申请涉及一种10‑氧代十九烷二酸的制备方法。与现有技术中的相应合成方法相比，本申请所述制备方法转化率高、副反应少，工艺简单、易于控制，安全性高，对设备要求低，适合工业化运用，具有巨大的经济潜力。

  公开号：

  CN114805049A

文献信息

• Immunosuppressant n-acyles homoserine lactones
  申请人：——

  公开号：US20030171371A1

  公开（公告）日：2003-09-11

  New N-acyl homoserine lactone compounds of the formula (I) in whichR is an acyl group of the formula (II) wherein one of R 1 and R 2 is H and the other is selected from OR 4 , SR 4 and NHR 4 , wherein R 4 is H or 1-6C alkyl, or R 1 and R 2 together with the carbon atom to which they are joined form a keto group, and R 3 containing from 8 to 11 carbon atoms and is optionally substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl, carbamoyl optionally mono- or disubstituted at the N atom by 1-6C alkyl and NR 5 R 6 wherein each of R 5 and R 6 is selected from H and 1-6C alkyl or R 5 and R 6 together with the N atom form a morpholino or piperazino group, or and enantiomer thereof, with the proviso that R is not a 3-oxododecanoyl group, having immuosuppressant properties are disclosed. The compounds are shown to have an inhibitory effect on lymphocyte proliferation and down-regulate TNF-&agr; secretion by monocytes/macrophages in the animal body, including the human body. Pharmaceutical composition comprising N-acyl homoserine lactones are also described. 1

  公开了式(I)的新的N-酰基高丝氨酸内酯化合物，其中R是式(II)的酰基，其中R1和R2中的一个为H，另一个选择自OR4、SR4和NHR4，其中R4为H或1-6C烷基，或者R1和R2与它们结合的碳原子一起形成酮基，而R3含有8至11个碳原子，并且可以被一个或多个取代基选自卤素、1-6C烷氧基、羧基、1-6C烷氧羰基、在N原子上可能被1-6C烷基单独或二取代的氨基和NR5R6，其中R5和R6中的每一个选择自H和1-6C烷基或R5和R6与N原子一起形成吗啡环或哌嗪环，或其对映体，但R不是3-氧代十二酰基基团。这些化合物具有免疫抑制特性，已经表明这些化合物对淋巴细胞增殖具有抑制作用，并且在动物体内，包括人体内，下调单核细胞/巨噬细胞的TNF-α分泌。还描述了包含N-酰基高丝氨酸内酯的制药组合物。
• Synergistic compositions of n-acylhomoserine lactones and 4-quinolones
  申请人：——

  公开号：US20040198978A1

  公开（公告）日：2004-10-07

  A composition having immunosuppressant activity comprises at least one compound of the formula (I) in which R is an acyl group of the formula (II) wherein one of R 1 and R 2 is H and the other is selected from OR 4 , SR 4 and NHR 4 , wherein R 4 is H or 1-6C alkyl, or R 1 and R 2 together with the carbon atom to which they are joined form a keto group, and R 3 is a straight or branched chain, saturated or unsaturated aliphatic hydrocarbyl group containing from 8 to 11 carbon atoms and is optionally substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl and NR 5 R 6 wherein each of R 5 and R 6 is selected from H and 1-6C alkyl or R 5 and R 6 together with the N atom form a morpholino or piperazino group, or any enantiomer thereof; and at least one compound of the formula (III): wherein R 7 is a straight or branched chain, saturated or ethylenically-unsaturated aliphatic hydrocarbyl group containing from 1 to 18 carbon atoms which may optionally be substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl and NR 12 R 13 , wherein each of R 12 and R 13 is independently selected from H and 1-6C alkyl or R 12 and R 13 together with the N atom to which they are attached form a saturated heterocyclic group selected from piperidino, piperazino and morpholino; R 8 is a group selected from H, —OH, halo, —CHO, —CO 2 H and CONHR 14 wherein R 14 is H or a 1-6C alkyl; each of R 9 , R 10 and R 11 is independently selected from H, —CH 3 , —OCH 3 and halo; or a non-toxic pharmaceutically-acceptable salt thereof. The determined immunosuppressant activity of the composition is greater than the sum of the activities of the individual components of the composition when determined separately. 1

  具有免疫抑制活性的组合物包括公式（I）中至少一种化合物，其中R是公式（II）的酰基，其中R1和R2中的一个是H，另一个选自OR4，SR4和NHR4，其中R4是H或1-6C烷基，或者R1和R2与它们连接的碳原子形成酮基，R3是含有8至11个碳原子的直链或支链、饱和或不饱和的脂肪族羟基烷基，可选地被一个或多个取代基选自卤素，1-6C烷氧基，羧基，1-6C烷氧羰基和NR5R6取代，其中每个R5和R6选自H和1-6C烷基或R5和R6与N原子形成吗啉或哌嗪基团，或其任何对映体；以及公式（III）中的至少一种化合物：其中R7是含有1至18个碳原子的直链或支链、饱和或乙烯不饱和的脂肪族羟基烷基，可以选择地被一个或多个取代基选自卤素，1-6C烷氧基，羧基，1-6C烷氧羰基和NR12R13取代，其中每个R12和R13独立地选自H和1-6C烷基或R12和R13与它们附着的N原子形成选自哌啶基，哌嗪基和吗啉的饱和杂环基；R8是选自H，—OH，卤素，—CHO，—CO2H和CONHR14的基团，其中R14是H或1-6C烷基；每个R9、R10和R11独立地选自H、—CH3、—O 和卤素；或其非毒性药物可接受盐。当单独测定时，组合物的确定免疫抑制活性大于组合物各个组分的活性之和。
• Synergistic compositions of N-acylhomoserine lactones and 4-quinolones
  申请人：The Secretary of State for Defense Science and Technology

  公开号：US07371779B2

  公开（公告）日：2008-05-13

  A composition having immunosuppressant activity comprises at least one compound of the formula (I) in which R is an acyl group of the formula (II) wherein one of R1 and R2 is H and the other is selected from OR4, SR4 and NHR4, wherein R4 is H or 1-6C alkyl, or R1 and R2 together with the carbon atom to which they are joined form a keto group, and R3 is a straight or branched chain, saturated or unsaturated aliphatic hydrocarbyl group containing from 8 to 11 carbon atoms and is optionally substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl and NR5R6 wherein each of R5 and R6 is selected from H and 1-6C alkyl or R5 and R6 together with the N atom form a morpholino or piperazino group, or any enantiomer thereof; and at least one compound of the formula (III): wherein R7 is a straight or branched chain, saturated or ethylenically-unsaturated aliphatic hydrocarbyl group containing from 1 to 18 carbon atoms which may optionally be substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl and NR12R13, wherein each of R12 and R13 is independently selected from H and 1-6C alkyl or R12 and R13 together with the N atom to which they are attached form a saturated heterocyclic group selected from piperidino, piperazino and morpholino; R8 is a group selected from H, —OH, halo, —CHO, —CO2H and CONHR14 wherein R14 is H or a 1-6C alkyl; each of R9, R10 and R11 is independently selected from H, —CH3, —OCH3 and halo; or a non-toxic pharmaceutically-acceptable salt thereof. The determined immunosuppressant activity of the composition is greater than the sum of the activities of the individual components of the composition when determined separately

  具有免疫抑制活性的组合物包括式(I)中至少一种化合物，其中R是式(II)的酰基，其中R1和R2中的一个为H，另一个选自OR4、SR4和NHR4，其中R4为H或1-6C烷基，或R1和R2与它们连接的碳原子形成酮基，R3是一种直链或支链、饱和或不饱和的脂肪族羟烃基，含有8-11个碳原子，并且可以被一个或多个取代基选自卤素、1-6C烷氧基、羧基、1-6C烷氧基羰基和NR5R6取代，其中每个R5和R6选自H和1-6C烷基，或R5和R6与N原子形成吗啡环或哌嗪环，或它们的任何对映异构体；和式(III)中的至少一种化合物：其中R7是一种直链或支链、饱和或乙烯基不饱和的脂肪族羟烃基，含有1-18个碳原子，可以选择地被一个或多个取代基选自卤素、1-6C烷氧基、羧基、1-6C烷氧基羰基和NR12R13取代，其中每个R12和R13独立地选自H和1-6C烷基，或R12和R13与它们附着的N原子形成选自哌啶、哌嗪和吗啡环的饱和杂环基；R8是选自H、—OH、卤素、—CHO、—CO2H和CONHR14的基团，其中R14是H或1-6C烷基；每个R9、R10和R11独立地选自H、—CH3、—O 和卤素；或其非毒性药学上可接受的盐。当单独测定时，组合物的确定的免疫抑制活性大于组合物各个成分的活性之和。
• Claisen condensation. Method for the synthesis of long chain dicarboxylic acids
  作者：Harry Cohen、Richard Shubart

  DOI：10.1021/jo00947a044

  日期：1973.4
• SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES
  申请人：THE UNIVERSITY OF NOTTINGHAM

  公开号：EP1404315A1

  公开（公告）日：2004-04-07