(5-Ethyl-3-methylcyclohex-2-en-1-yl) acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (5-Ethyl-3-methylcyclohex-2-en-1-yl) acetate
• 英文别名: (5-ethyl-3-methylcyclohex-2-en-1-yl) acetate
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.26
• InChiKey: ZQSXREFCICFQOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

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 (CH2) 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 = CH2 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 = CH2 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 = CH2 和 y 为 1 的结构(I)的化合物含有 13 至 20 个总碳原子。
• Feeding deterrence of pests such as Hemiptera, Lepidoptera and Coleoptera
  申请人：BEDOUKIAN RESEARCH, INC.

  公开号：US11224223B2

  公开（公告）日：2022-01-18

  Compounds are used as agents that deter feeding by insect pests, such as Hemiptera, Lepidoptera and Coleoptera. Feeding deterrence is obtained by contact of the insect pests with at least one of the compounds of the structure (I) wherein R is —OH, ═O, —OC(O)R4, —OR6, or —(OR6)2, each R6 is independently 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 (CH) or (CH2); y is a numeral selected from 1 and 2; R1 is 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 H or 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, and —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; 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 (I) contain from 9 to 20 total carbon atoms in the compounds.

  化合物可用作阻止半翅目、鳞翅目和鞘翅目等害虫取食的制剂。通过害虫与至少一种结构式为 (I) 的化合物接触，可阻止害虫取食。 其中 R 是 -OH、═O、-OC(O)R4、-OR6 或 -(OR6)2，每个 R6 独立地是含有 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、饱和或不饱和的烃基；X 是 O 或 CH2，但当 X 是 O 时，R 只能是═O；每个 Z 独立地是（CH）或（CH2）； y 是选自 1 和 2 的数字； R1 是 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 是 H 或具有 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、-(CH2)nOH、-C(O)OR5、-CH2C(O)OR7、-CH2C(O)R8、-C(O)NR9R10 和-CH2C(O)NR11R12，其中 R5、R7、R8、R9、R10 和 R11R12 各自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 为 1 至 12 的整数；环结构中 2 位和 3 位之间的键可以是单键或双键；结构（I）的化合物中总共含有 9 至 20 个碳原子。
• ANTIMICROBIAL AGENTS
  申请人：Bedoukian Research, Inc.

  公开号：EP2875141A1

  公开（公告）日：2015-05-27
• FEEDING DETERRENCE IN AGRICULTURAL PESTS SUCH AS HEMIPTERA, LEPIDOPTERA AND COLEOPTERA
  申请人：BEDOUKIAN RESEARCH, INC.

  公开号：US20150051276A1

  公开（公告）日：2015-02-19

  Compounds are used as agents that deter feeding of crops by agricultural pests such as hemiptera, lepidoptera and coleoptera, including, but not limited to, stink bugs, codling moth larvae and granary weevils. Feeding deterrence is obtained by contact of the insects with at least one of the compounds of the structure (I) wherein R is —OH, ═O, —OC(O)R 4 , —OR 6 , or —(OR 6 ) 2 , wherein each R 6 , is independently an alkyl group containing from 1 to 4 carbon atoms and R 4 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 CH 2 with the proviso that when X is O R can only be ═O; each Z is independently (CH) or (CH 2 ); y is a numeral selected from 1 and 2; R 1 is 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; R 2 is H or a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms; R 3 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) n OH, —C(O)OR 5 , —CH 2 C(O)OR 7 , —CH 2 C(O)R 8 , —C(O)NR 9 R 10 , and —CH 2 C(O)NR 11 R 12 where each of R 5 , R 7 , R 8 , R 9 , R 10 , R 11 and R 12 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; 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 (I) contain from 9 to 20 total carbon atoms in the compounds.
• [EN] ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTIMICROBIENS
  申请人：BEDOUKIAN RES INC

  公开号：WO2014014490A1

  公开（公告）日：2014-01-23

  Compounds are used in compositions as antimicrobial agents against microbes, such as for example, Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Pseudomonas aeruginosa, Candida albicans, and Aspergillus brasiliensis. Antimicrobial action is obtained by contact of a microorganism with at least one of the compounds of the structure (I); wherein R is a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero or one double bond and a total of from 1 to 11 carbon atoms; R1 is -OH, =0 or -OC(0)CH3 and wherein the compounds of structure (I) contain a total of from 9 to 18 carbon atoms in the compounds.