(3S,6S)-3-Methyl-6-isopropenyl-9-decen-1-yl Acetate | 67601-10-9

• 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: (3S,6S)-3-Methyl-6-isopropenyl-9-decen-1-yl Acetate
• 英文别名: (3S,6S)-3-Methyl-6-isopropenyl-9-decen-1-yl acetate；[(3S,6S)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate
• CAS: 67601-10-9
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.397
• InChiKey: UJJKWQRTTYLTQL-HOCLYGCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (3S,6R)-6,7-Dihydroxycitronellyl (Methoxyethoxy)methyl Ether 在 4-二甲氨基吡啶 、 氢氧化钾 、 lithium aluminium tetrahydride 、 三乙胺 、 N,N-二甲基-1,3-二氨基丙烷 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 乙腈 为溶剂， 反应 5.0h， 生成 (3S,6S)-3-Methyl-6-isopropenyl-9-decen-1-yl Acetate
  参考文献：
  名称：

  Synthesis of the optical isomers of 3-methyl-6-isopropenyl-9-decen-1-yl acetate, a component of the California red scale pheromone

  摘要：

  DOI：

  10.1021/jo01299a038

文献信息

• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS<br/>[FR] COMPOSÉS TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QU'AGENTS DE LUTTE CONTRE LES NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2018097318A1

  公开（公告）日：2018-05-31

  The present invention provides a tetrazolinone represented by formula (I) and a pest control agent comprising the same, and their use thereof. Formula (I) [wherein, W1 represents an oxygen atom or a sulfur atom; W2 represents a hydrogen atom, or a C1-C6 chain hydrocarbon group; R15 and R16 represent a halogen atom and the like; u is 0, 1, 2 or 3; the combination of E, G, X1, Y1 and Z1 represents any one of the combinations of the following a and the like: a: a combination wherein E represents #-C(X1)(Y1)-O-N=C(Z1)-, #-C(X1)(Y1)-S-N=C(Z1)-, #-C(X1)(Y1)-O-N=C(Z1)-O-CH2-, #-C(X1)(Y1)-O-N=C(Z1)-S-CH2-, #-C(X1)(Y1)-S-N=C(Z1)-O-CH2-, #-C(X1)(Y1)-S-N=C(Z1)-S-CH2-, #-C(Z1)=N-N=C(Z2)-, #-C(X1)=C(Y1)-C(Z1)=N-O-CH2- or #-C(X1)=C(Y1)-C(Z1)=N-S-CH2-; G represents a C1-C6 chain hydrocarbon group, a (C1-C6 alkoxy)C1-C6 alkyl group, a (C1-C6 alkylthio)C1-C6 alkyl group the C1-C6 chain hydrocarbon group, the (C1-C6 alkoxy)C1-C6 alkyl group, and the (C1-C6 alkylthio)C1-C6 alkyl group may have one or more substituents selected from Group S} or R1-T1-, X1 and Y1, which are identical to or different from each other, independently represents substituents selected from Group T, and Z1 represents a substituent selected from Group V.]

  本发明提供了一种由式(I)表示的四唑酮化合物，以及包含该化合物的杀虫剂，以及它们的使用。式(I)中，W1代表氧原子或硫原子；W2代表氢原子或C1-C6链烃基；R15和R16代表卤素原子等；u为0、1、2或3；E、G、X1、Y1和Z1的组合代表以下a等组合中的任意一种：a：E代表#-C(X1)(Y1)-O-N=C(Z1)-、#-C(X1)(Y1)-S-N=C(Z1)-、#-C(X1)(Y1)-O-N=C(Z1)-O-CH2-、#-C(X1)(Y1)-O-N=C(Z1)-S-CH2-、#-C(X1)(Y1)-S-N=C(Z1)-O-CH2-、#-C(X1)(Y1)-S-N=C(Z1)-S-CH2-、#-C(Z1)=N-N=C(Z2)-、#-C(X1)=C(Y1)-C(Z1)=N-O-CH2-或#-C(X1)=C(Y1)-C(Z1)=N-S-CH2-；G代表C1-C6链烃基、(C1-C6烷氧基)C1-C6烷基、(C1-C6烷硫基)C1-C6烷基C1-C6链烃基、(C1-C6烷氧基)C1-C6烷基和(C1-C6烷硫基)C1-C6烷基中的每一种可能具有来自S族的一个或多个取代基}或R1-T1-，X1和Y1互相相同或不同，独立地代表来自T族的取代基，Z1代表来自V族的取代基。
• PROCESS FOR PREPARING 6-ISOPROPENYL-3-METHYL-9-DECENYL ACETATE, AND INTERMEDIATES THEREFOR
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20220017447A1

  公开（公告）日：2022-01-20

  The present invention provides a process for preparing 6-isopropenyl-3-methyl-9-decenyl acetate (5): wherein Ac represents an acetyl group, the process comprising steps of: subjecting a 2-methyl-2,6-heptadiene compound (1) having a leaving group X at position 1: wherein X represents an acyloxy group having 1 to 10 carbon atoms including the carbon atom of the carbonyl group, an alkanesulfonyloxy group having 1 to 10 carbon atoms, an arenesulfonyloxy group having 6 to 20 carbon atoms, or a halogen atom, to a nucleophilic substitution reaction with a 3-methylpentyl nucleophilic reagent (2) having a protected hydroxyl group at position 5: wherein M represents Li, MgZ 1 , ZnZ 1 , Cu, CuZ 1 , or CuLiZ 1 , wherein Z 1 represents a halogen atom or a CH 2 CH 2 CH(CH 3 )CH 2 CH 2 OR group, and R represents a protecting group for a hydroxyl group, to form a 6-isopropenyl-3-methyl-9-decene compound (3) having a protected hydroxyl group at position 1: wherein R is as defined above; subjecting the 6-isopropenyl-3-methyl-9-decene compound (3) having the protected hydroxyl group at position 1 to a deprotection reaction to form 6-isopropenyl-3-methyl-9-decenol (4); and acetylating 6-isopropenyl-3-methyl-9-decenol (4) to form 6-isopropenyl-3-methyl-9-decenyl acetate (5).

  本发明提供了一种制备6-异丙烯基-3-甲基-9-癸烯基醋酸酯（5）的方法：其中Ac代表乙酰基，该方法包括以下步骤：将在位置1具有一个离去基X的2-甲基-2,6-庚二烯化合物（1）进行亲核取代反应，其中X代表一个含有1至10个碳原子的乙酰氧基，一个含有1至10个碳原子的烷基磺酰氧基，一个含有6至20个碳原子的芳基磺酰氧基，或一个卤素原子；与在位置5具有被保护羟基的3-甲基戊基亲核试剂（2）进行亲核取代反应，其中M代表Li、MgZ1、ZnZ1、Cu、CuZ1或CuLiZ1，其中Z1代表卤素原子或CH2CH2CH(CH3)CH2CH2OR基团，R代表羟基的保护基团，形成具有在位置1处保护羟基的6-异丙烯基-3-甲基-9-癸烯化合物（3）；将具有在位置1处保护羟基的6-异丙烯基-3-甲基-9-癸烯化合物（3）进行去保护反应，形成6-异丙烯基-3-甲基-9-癸烯醇（4）；将6-异丙烯基-3-甲基-9-癸烯醇（4）醋酰化，形成6-异丙烯基-3-甲基-9-癸烯基醋酸酯（5）。
• PROCESS FOR PREPARING 6-ISOPROPENYL-3-METHYL-9-DECENYL ACETATE AND INTERMEDIATES THEREOF
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20210323903A1

  公开（公告）日：2021-10-21

  A process for process for preparing 6-isopropenyl-3-methyl-9-decenyl acetate of the following formula (3), wherein Ac represents an acetyl group, the process comprising steps of: preparing a nucleophilic reagent, 5-isopropenyl-2-methyl-8-nonenyl compound, of the following general formula (1): wherein M 1 represents Li, MgZ 1 , ZnZ 1 , Cu, CuZ 1 , or CuLiZ 1 , wherein Z 1 represents a halogen atom or a 5-isopropenyl-2-methyl-8-nonenyl group, from a 5-isopropenyl-2-methyl-8-nonenyl halide compound of the following general formula (4): wherein X 1 represents a halogen atom; subjecting the nucleophilic reagent (1), 5-isopropenyl-2-methyl-8-nonenyl compound, to an addition reaction with at least one electrophilic reagent selected from the group consisting of formaldehyde, paraformaldehyde, and 1,3,5-trioxane, followed by a hydrolysis reaction to form 6-isopropenyl-3-methyl-9-decenol of the following formula (2); and acetylating 6-isopropenyl-3-methyl-9-decenol (2) to form 6-isopropenyl-3-methyl-9-decenyl acetate (3).

  以下是该过程的中文翻译：制备下列式（3）的6-异丙烯基-3-甲基-9-癸烯基醋酸酯的制备过程，其中Ac代表乙酰基，该过程包括以下步骤：制备亲核试剂，下列一般式（1）的5-异丙烯基-2-甲基-8-壬烯基化合物：其中M1代表Li，MgZ1，ZnZ1，Cu，CuZ1或CuLiZ1，其中Z1代表卤素原子或5-异丙烯基-2-甲基-8-壬烯基基团，从下列一般式（4）的5-异丙烯基-2-甲基-8-壬烯基卤化物化合物制备：其中X1代表卤素原子；将亲核试剂（1）5-异丙烯基-2-甲基-8-壬烯基化合物与选择自甲醛、多聚甲醛和1,3,5-三噁烷的至少一种亲电试剂进行加成反应，随后进行水解反应以形成下列式（2）的6-异丙烯基-3-甲基-9-癸烯醇；并对6-异丙烯基-3-甲基-9-癸烯醇（2）进行乙酰化以形成6-异丙烯基-3-甲基-9-癸烯基醋酸酯（3）。
• HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP3514155A1

  公开（公告）日：2019-07-24

  The present invention relates to a compound represented by Formula (I): in the formula, Q represents a group represented by Formula Q1, Q2, or Q3, and T represents a chain hydrocarbon group, an alkoxyalkyl group, an alkylsulfanylalkyl group, an alkylsulfinylalkyl group, or an alkylsulfonylalkyl group, which has a halogen atom; a cycloalkylalkyl group or a cycloalkyl group, which has a substituent; OR1, S(O)mR1, OS(O)2R1, CH2OR1, NR1R29, C(O)R1, C(O)NR1R29, NR21C(O)R1, N=CR1R30, or a group represented by any one of Formulae T-1 to T-12,

  本发明涉及一种由式（I）表示的化合物： 式中，Q 代表式 Q1、Q2 或 Q3 所代表的基团，T 代表链烃基、烷氧基烷基、烷硫基烷基、烷亚磺酰基烷基或烷磺酰基烷基，其中有一个卤原子；具有取代基的环烷基烷基或环烷基； OR1、S(O)mR1、OS(O)2R1、CH2OR1、NR1R29、C(O)R1、C(O)NR1R29、NR21C(O)R1、N=CR1R30 或由式 T-1 至 T-12 中任何一个所代表的基团、
• HETEROCYCLIC COMPOUND AND COMPOSITION CONTAINING SAME
  申请人：Sumitomo Chemical Company Limited

  公开号：EP3632900A1

  公开（公告）日：2020-04-08

  The present invention provides a heterocyclic compound represented by formula (I): wherein, R2 represents a C1-C6 alkyl group optionally having one or more halogen atoms etc., n is 0 etc., R3 represents a C1-C6 chain hydrocarbon group optionally having one or more substituents selected from Group B etc., q is 0 etc., Het represents a group represented by the formulae Het 1 or Het 2, A1 represents a nitrogen atom etc., Q2 represents an oxygen atom etc., which has an excellent efficacy for controlling harmful arthropods; an intermediate compound; and a composition comprising the same compound and one or more kinds of ingredients selected from the group consisting of Group (a), Group (b), Group (c), Group (d) and Group (e), each which is described in the Description.

  本发明提供了一种由式 (I) 表示的杂环化合物： 其中，R2代表任选具有一个或多个卤原子等的C1-C6烷基，n为0等，R3代表任选具有一个或多个选自B组等的取代基的C1-C6链烃基，q为0等，Het代表由式Het 1或Het 2代表的基团，A1代表氮原子等、Q2 代表氧原子等，对控制有害节肢动物具有优异功效；中间化合物；以及由相同化合物和一种或多种选自(a)组、(b)组、(c)组、(d)组和(e)组的成分组成的组合物。