Methyl 2-[2-(4-amino-4-oxobutyl)-4-oxocyclopentyl]acetate

• 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 2-[2-(4-amino-4-oxobutyl)-4-oxocyclopentyl]acetate
• 英文别名: methyl 2-[2-(4-amino-4-oxobutyl)-4-oxocyclopentyl]acetate
• 化学式: C₁₂H₁₉NO₄
• 分子量: 241.28
• InChiKey: WYNJKUDBDKKNTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• CONTROL AND REPELLENCY OF BED BUGS
  申请人：Bedoukian Research, Inc.

  公开号：EP3257376A1

  公开（公告）日：2017-12-20

  Control or repellency of bed bugs is accomplished by bringing the bed bugs into contact with at least one of the compounds of the structure (I) Wherein R is selected from -OH, -OC(O)R4, -OR6, -(OR6)2, wherein each R6 is independently selected from an alkyl group containing from 1 to 4 carbon atoms and R4 is a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to two double bonds and from 1 to 15 carbon atoms; X is O or CH2, with the proviso that when X is O R can only be =O; each Z is independently selected from (CH) and (CH2) y is a numeral selected from 1 and 2; R1 is selected from H or a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to two double bonds and from 1 to 15 carbon atoms. R2 is selected from H and a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms. R3 is selected from H, a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms, -(CH2)nOH, -C(O)OR5, -CH2C(O)OR7,-CH2C(O)R8, -C(O)NR9R10, -CH2C(O)NR11R12 where each of R5, R7, R8, R9, R10, R11 and R12 is independently selected from H and a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms, and n is an integer of from 1 to 12; and the bond between the 2 and 3 positions in the ring structure may be a single or a double bond, and wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is =O, X = CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds. wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is =O, X = CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds. wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is =O, X = CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds.

  通过使臭虫与至少一种结构(I)的化合物接触，达到控制或驱除臭虫的目的 其中 R 选自-OH、-OC(O)R4、-OR6、-(OR6)2，其中每个 R6 独立地选自含有 1 至 4 个碳原子的烷基，R4 是具有 0 至 2 个双键和 1 至 15 个碳原子的支链或直链饱和或不饱和烃基； X 是 O 或 CH2，但当 X 是 O 时，R 只能是 =O； 每个 Z 独立选自 (CH) 和 ( ) y 是选自 1 和 2 的数字； R1 选自 H 或具有 0 至 2 个双键和 1 至 15 个碳原子的支链或直链饱和或不饱和烃基。 R2 选自 H 和具有 0 至 3 个双键和 1 至 15 个碳原子的支链或直链饱和或不饱和烃基。 R7、R8、R9、R10、R11 和 R12 中的每一个都独立选自 H 和具有 0 至 3 个双键和 1 至 15 个碳原子的支链或直链、饱和或不饱和烃基，且 n 是 1 至 12 的整数；且 环结构中 2 和 3 位置之间的键可以是单键或双键，其中结构（1）的化合物总共含有 11 至 20 个碳原子，但 R 为 =O、X = 和 y 为 1 的结构（I）的化合物总共含有 13 至 20 个碳原子。其中结构(1)的化合物含有 11 至 20 个总碳原子，但 R 为 =O、X = 和 y 为 1 的结构(I)的化合物含有 13 至 20 个总碳原子。 其中结构(1)的化合物含有 11 至 20 个总碳原子，但 R 为 =O、X = 和 y 为 1 的结构(I)的化合物含有 13 至 20 个总碳原子。
• SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS
  申请人：Bedoukian Research, Inc.

  公开号：EP3954210A1

  公开（公告）日：2022-02-16

  Control or repellency of biting arthropods, particularly biting insects, is accomplished by bringing the biting arthropods into contact with combinations of compounds identical or related to those found on human/animal skin or in plants acting synergistically with one another, or in combination with conventional repellents like N,N-diethyl-3-methylbenzamide (DEET®), para-menthane-3,8-diol (PMD), sec-butyl-2-(2-hydroxyethyl) piperidine carboxylate ("Picaridin"), or other nitrogen containing repellents selected from amines, amides and nitrogen containing heterocyclic compounds, or any synergistic combination of DEET®, PMD, Picaridin, or other nitrogen containing repellents selected from amines, amides and nitrogen containing heterocyclic compounds.

  控制或驱除叮咬性节肢动物，特别是叮咬性昆虫的方法是使叮咬性节肢动物接触到与人/动物皮肤上或植物中发现的化合物相同或相关的化合物组合，这些化合物相互协同作用，或与传统驱虫剂如 N,N-二乙基-3-甲基苯甲酰胺（DEET®）、对位-3-薄荷烷-8-二醇（PMD）、仲丁基-2-（2-羟乙基）哌啶羧酸酯（"Picaridin"）或选自胺类的其他含氮驱虫剂结合使用、8-二醇（PMD）、仲丁基-2-（2-羟乙基）哌啶羧酸酯（"Picaridin"）或其他选自胺、酰胺和含氮杂环化合物的含氮驱虫剂，或 DEET®、PMD、Picaridin 或其他选自胺、酰胺和含氮杂环化合物的含氮驱虫剂的任何协同组合。
• Control and repellency of bed bugs
  申请人：BEDOUKIAN RESEARCH, INC.

  公开号：US10703705B2

  公开（公告）日：2020-07-07

  Control or repellency of bed bugs is accomplished by bringing the bed bugs into contact with at least one of the compounds of the structure (I); wherein R is selected from —OH, —OC(O)R4, —OR6, —(OR6)2, wherein each R6 is independently selected from an alkyl group containing from 1 to 4 carbon atoms and R4 is a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to two double bonds and from 1 to 15 carbon atoms; X is O or CH2, with the proviso that when X is O R can only be =0; each Z is independently selected from (CH) and (CH2) y is a numeral selected from 1 and 2; R1 is selected from H or a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to two double bonds and from 1 to 15 carbon atoms. R2 is selected from H and a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms. R3 is selected from H, a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms, —(CH2)nOH, —C(O)OR5, —CH2C(O)OR7, —CH2C(O)R8, —C(O)NR9R10, —CH2C(O)NR11R12 where each of R5, R7, R8, R9, R10, R11 and R12 is independently selected from H and a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms, and n is an integer of from 1 to 12; and the bond between the 2 and 3 positions in the ring structure may be a single or a double bond, and wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is ═O, X═CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds, wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is ═O, X═CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds, wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is =0, X═CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds.

  通过使臭虫接触至少一种结构(I)的化合物来达到控制或驱避臭虫的目的；其中R选自-OH、-OC(O)R4、-OR6、-(OR6)2，其中每个R6独立地选自含有1至4个碳原子的烷基，R4是具有0至2个双键和1至15个碳原子的支链或直链饱和或不饱和烃基；X是O或CH2，但当X是O时，R只能是＝0；每个Z独立地选自(CH)和( )y是选自1和2的数字；R1选自H或具有0至2个双键和1至15个碳原子的支链或直链饱和或不饱和烃基。R2 选自 H 和具有 0 至 3 个双键和 1 至 15 个碳原子的支链或直链饱和或不饱和烃基。R3 选自 H、具有 0 至 3 个双键和 1 至 15 个碳原子的支链或直链饱和或不饱和烃基、-( )nOH、-C(O)OR5、- C(O)OR7、- C(O)R8、-C(O)NR9R10、- C(O)NR11R12，其中 R5、R7、R8、R9、R10、R11、R12 中的每一个、R7、R8、R9、R10、R11 和 R12 都独立选自 H 和具有 0 至 3 个双键和 1 至 15 个碳原子的支链或直链、饱和或不饱和烃基，且 n 是 1 至 12 的整数；且环结构中 2 和 3 位置之间的键可以是单键或双键，其中结构（1）的化合物总共含有 11 至 20 个碳原子，但 R 为 ═O、X═ 和 y 为 1 的结构（I）的化合物总共含有 13 至 20 个碳原子的化合物除外，其中结构（1）的化合物总共含有 11 至 20 个碳原子、除了 R 为═O、X═ 和 y 为 1 的结构(I)化合物中含有 13 至 20 个总碳原子，其中结构(1)化合物中含有 11 至 20 个总碳原子，除了 R 为＝0、X═ 和 y 为 1 的结构(I)化合物中含有 13 至 20 个总碳原子。
• CONTROL AND REPELLENCY OF MOSQUITOES
  申请人：Bedoukian Research, Inc.

  公开号：EP2849564B1

  公开（公告）日：2022-09-28
• US9314029B2
  申请人：——

  公开号：US9314029B2

  公开（公告）日：2016-04-19