(E)-6-Bromhex-2-encarbonsaeuremethylester | 75424-49-6

• 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: (E)-6-Bromhex-2-encarbonsaeuremethylester
• 英文别名: (E)-6-bromohex-2-enoic acid methyl ester；(E)-6-Brom-2-hexensaeure-methylester；methyl (E)-6-bromohex-2-enoate；methyl 6-bromo-2E-hexenoate；6-bromo-2-hexenoic acid methyl ester
• CAS: 75424-49-6
• 化学式: C₇H₁₁BrO₂
• 分子量: 207.067
• InChiKey: FPNAUJBKPOJNRY-HWKANZROSA-N

物化性质

• 沸点：
  232.2±23.0 °C(Predicted)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-6-Bromhex-2-encarbonsaeuremethylester 在 臭氧 、 lithium diisopropyl amide 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 (-)-(1R,2S)-2-(4-Methyl-2-oxopentyl)cyclopentancarbonsaeure-methylester
  参考文献：
  名称：

  Enders, Dieter; Scherer, Hermann J.; Raabe, Gerhard, Angewandte Chemie, 1991, vol. 103, # 12, p. 1676 - 1678

  摘要：

  DOI：
• 作为产物：
  描述：

  6-溴己醛 、 膦酰基乙酸甲酯二乙酯 在 sodium hydride 作用下， 生成 (E)-6-Bromhex-2-encarbonsaeuremethylester
  参考文献：
  名称：

  Enders, Dieter; Scherer, Hermann J.; Runsink, Jan, Chemische Berichte, 1993, vol. 126, # 8, p. 1929 - 1944

  摘要：

  DOI：

文献信息

• Novel Heterocyclidene Acetamide Derivative
  申请人：Uchida Hideharu

  公开号：US20080287428A1

  公开（公告）日：2008-11-20

  A compound represented by formula (I′): (wherein m, n, and p each represent 0 to 2; q represents 0 or 1; R 1 represents halogen, a hydrocarbon group, a heterocyclic group, an alkoxy group, an alkoxycarbonyl group, a sulfamoyl group, a CN group, an NO 2 group, or the like; R 2 represents halogen, amino, a hydrocarbon group, an aromatic heterocyclic group, or an oxo group; X 1 represents O, —NR 3 —, or —S(O)r-; X 2 represents a methylene group, O, —NR 3 —, or —S(O)r-; Q′ represents a heteroaryl group, a heteroarylalkyl group, a substituted aryl group, or an aralkyl group; Cycle moiety represents an aryl ring or a heteroaryl ring; and the wavy line represents an E-isomer or a Z-isomer), a salt of the compound, or a solvate of the compound or the salt. A pharmaceutical composition and a transient receptor potential type I (TRPV1) receptor antagonist each contain, as an active ingredient, at least one of the compound, a salt of the compound, and a solvate of the compound or the salt.

  一个由式(I′)表示的化合物：（其中m、n和p分别表示0到2；q表示0或1；R1表示卤素、烃基、杂环基、烷氧基、烷氧羰基、磺酰胺基、CN基团、NO2基团等；R2表示卤素、氨基、烃基、芳香杂环基或醛基；X1表示O、—NR3—或—S(O)r-；X2表示亚甲基、O、—NR3—或—S(O)r-；Q′表示异芳基基团、异芳基烷基基团、取代芳基基团或芳基烷基基团；Cycle moiety代表芳基环或杂芳基环；波浪线表示E异构体或Z异构体），该化合物的盐，或该化合物或其盐的溶剂络合物。一种药物组合物和一种瞬时受体电位类型I（TRPV1）受体拮抗剂，每种包含至少一种该化合物、该化合物的盐，或该化合物或其盐的溶剂络合物作为活性成分。
• Palladium-Catalyzed Alkoxycarbonylation of Terminal Alkenes To Produce α,β-Unsaturated Esters: The Key Role of Acetonitrile as a Ligand
  作者：Andrei V. Malkov、Nolwenn Derrien、Maciej Barłóg、Pavel Kočovský

  DOI：10.1002/chem.201304798

  日期：2014.4.14

  A mild protocol has been developed for the PdII‐catalyzed alkoxycarbonylation of terminal olefins to produce α,β‐unsaturated esters with a wide range of substrates. Key features are the use of MeCN as solvent (and/or ligand) to control the reactivity of the intermediate Pd complexes and the combination of CO with O2, which facilitates the CuII‐mediated reoxidation of the Pd0 complex to PdII and prevents

  已开发出一种温和的方案，用于末端烯烃的Pd II催化的烷氧羰基化反应，以生产具有多种底物的α，β-不饱和酯。关键特征是使用MeCN作为溶剂（和/或配体）来控制中间Pd配合物的反应性，以及CO与O 2的组合，这有助于Cu II介导的Pd 0配合物向Pd II和Pd II的再氧化。防止双羰基化。
• Synthesis of Hydroxy-α-sanshool
  作者：Patrick Toy、Bo Wu、Kun Li

  DOI：10.1055/s-0032-1317172

  日期：——

  starting materials using Wittig reactions as the key transformations for construction of the carbon skeleton. The penultimate synthetic intermediate was 2E,6Z,8E,10E-dodecatetraenoic acid, and its crystalline nature allowed it, and thus hydroxy-α-sanshool, to be purified to a very high level of stereochemical homogeneity.

  酰胺羟基-α-sanshool 是导致食用四川（或四川）花椒（花椒）时出现轻微麻木感的原因。它使用 Wittig 反应作为构建碳骨架的关键转化，从简单的市售起始材料中分六个步骤合成。倒数第二个合成中间体是 2E,6Z,8E,10E-十二碳四烯酸，它的结晶性质允许它，因此羟基-α-sanshool，被纯化到非常高的立体化学同质性水平。
• MIRC (ichael nitiated ing losure) Reactions Formation of Three, Five, Six and Seven Membered Rings
  作者：R.Daniel Little、James R. Dawson

  DOI：10.1016/s0040-4039(00)92818-1

  日期：1980.1

  The term MIRC reaction is defined. Examples of the construction of three, five, six and seven membered rings using alkylthiolates and LDA as nucleophiles are presented.

  定义了术语MIRC反应。给出了使用烷基硫醇盐和LDA作为亲核试剂构造三，五，六和七元环的实例。
• HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE
  申请人：UCHIDA Hideharu

  公开号：US20100016285A1

  公开（公告）日：2010-01-21

  The blow-described formula (I) [Ch. 1] a compound represented by formula (I) (wherein k, m, n, and p each represent 0 to 2; j and q represents 0 or 1; R 1 represents a halogen atom, a hydrocarbon group, a heterocyclic group, an alkoxy group, an alkoxycarbonyl group, NH 2 , OH, a carboxyl group, an alkanoyl group, CN, NO 2 , or the like; R 2 represents a halogen atom, an amino group, a hydrocarbon group, an aromatic heterocyclic group, an oxo group, or the like; represents an oxygen atom, —NR 3 —, or —S(O)r- (wherein r is an integer of 0 to 2); X 2 represents a methylene group, an oxygen atom, —NR 3 — (wherein R 3 is a hydrogen atom, a hydrocarbon group, or the like), or S(O)r- (wherein r is an integer of 0 to 2); W represents a methylene group, a carbonyl group, or a sulfonyl group; R 7 represents a hydrogen atom, a hydrocarbon group, a heterocyclic group, or the like; R 8 represents a hydrogen atom, a halogen atom, a hydrocarbon group, a heterocyclic group, the broken line in the ring containing X 1 and X 2 represents a condensation of two rings; cycle moiety represents a five- or six-membered aryl ring or heteroaryl ring; and the solid line and the broken line between L 1 and L 2 are a single bond or double bond, and the wavy line represents an E-isomer or a Z-isomer), a salt thereof, or solvates thereof, and a pharmaceutical composition containing the compound as an active ingredient.

  以下是所描述的公式(I)[Ch. 1]的化合物，由公式(I)表示（其中k、m、n和p各自表示0到2；j和q表示0或1；R1表示卤素原子、碳氢基团、杂环基团、烷氧基、烷氧羰基基团、NH2、OH、羧基、烷酰基、CN、NO2或类似物；R2表示卤素原子、氨基基团、碳氢基团、芳香杂环基团、氧代基团或类似物；表示氧原子、-NR3-或-S（O）r-（其中r为0至2的整数）；X2表示亚甲基基团、氧原子、-NR3-（其中R3为氢原子、碳氢基团或类似物）或S（O）r-（其中r为0至2的整数）；W表示亚甲基基团、羰基基团或磺酰基基团；R7表示氢原子、碳氢基团、杂环基团或类似物；R8表示氢原子、卤素原子、碳氢基团、杂环基团，环中的X1和X2之间的断线表示两个环的缩合；环基表示五元或六元芳基环或杂芳基环；实线和L1和L2之间的断线是单键或双键，波浪线表示E-异构体或Z-异构体），其盐或溶剂化物，以及含有该化合物作为活性成分的药物组成物。