trans-3,4-dimethyl-2-pentenoic acid | 38972-59-7

• 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: trans-3,4-dimethyl-2-pentenoic acid
• 英文别名: (E)-3,4-Dimethyl-2-pentenoic acid；E-3,4-dimethyl-2-pentenoic acid；3,4-dimethyl-2-pentenoate；(E)-3,4-dimethyl-pent-2-enoic acid；3,4-dimethyl-2-pentenoic acid；(E)-3,4-dimethylpent-2-enoic acid
• CAS: 38972-59-7
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: BLROLNSSBGCUAD-GQCTYLIASA-N

物化性质

• 沸点：
  78-84 °C(Press: 0.1 Torr)
• 密度：
  0.967±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-3,4-dimethyl-2-pentenoic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 3,4-dimethyl-2-pentenoyl chloride
  参考文献：
  名称：

  Bruceolides

  摘要：

  提供了两种合成路径，可以从更容易获得的bruceoside-A和-B合成已知有效的抗白血病的quassinoid bruceantin。合成序列中产生的某些中间化合物以及bruceantin本身已被证明具有抗疟疾特性。

  公开号：

  US04350638A1
• 作为产物：
  描述：

  3,4-Dimethyl-trans-penten-(2)-saeure-ethylester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以91%的产率得到trans-3,4-dimethyl-2-pentenoic acid
  参考文献：
  名称：

  Conversion of Quassin into 15β-[(E)-3,4-dimethyl-2-pentenoyloxy]quassin. AD-Ring Analog of Bruceantin

  摘要：

  经过五个步骤将夸松转化为 15β-[(E)-3,4-二甲基-2-戊烯酰氧基]夸松。

  DOI：

  10.1246/bcsj.54.941

文献信息

• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20160031908A1

  公开（公告）日：2016-02-04

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  揭示了新颖的化合物以及治疗与异常白细胞召集和/或激活相关的疾病的方法。该方法包括向需要的受试者施用代表的化合物的有效量： 或其生理上可接受的盐。
• [EN] METHOD FOR PREPARING ORGANIC PEROXIDES ON SITE<br/>[FR] METHODE DE PREPARATION DE PEROXYDES ORGANIQUES SUR PLACE
  申请人：AKZO NOBEL NV

  公开号：WO2005075419A1

  公开（公告）日：2005-08-18

  The present invention relates to a process for preparing an organic peroxide and the subsequent use thereof in a (co)polymerization reaction, wherein the process comprises the steps (a), b1 (or b2), (c), (d), and (e), said steps being: (a) the reaction of chlorine with carbon monoxide, (b1) the reaction of phosgene formed in step (a) with one or more alcohols in order to prepare chloroformate, (b2) the reaction of phosgene formed in step (a) with one or more organic acids to prepare acid chloride, optionally in the presence of a catalyst suitable to effect the reaction of phosgene with said one or more organic acids, (c) the reaction of chloroformate, acid chloride, or mixture thereof with (in)organic hydroperoxide and base in an aqueous environment, (d) the transfer of organic peroxide formed in step (c) to a polymerization vessel, and (e) the (co)polymerization of monomer in the polymerization vessel in the presence of one or more organic peroxides transferred in step (d), wherein all of steps (a)-(e) are conducted at one site.

  本发明涉及一种用于制备有机过氧化物并在随后的(共)聚合反应中使用该过氧化物的方法，其中所述过程包括步骤(a)，b1(或b2)，(c)，(d)和(e)，这些步骤为：(a)氯与一氧化碳的反应，(b1)将步骤(a)中形成的光气与一种或多种醇反应以制备氯甲酸甲酯，(b2)将步骤(a)中形成的光气与一种或多种有机酸反应以制备酰氯，可选地在存在适合促进光气与所述一种或多种有机酸反应的催化剂的情况下进行，(c)将氯甲酸甲酯、酰氯或其混合物与(无机)有机过氧化氢和碱在水环境中反应，(d)将步骤(c)中形成的有机过氧化物转移到聚合釜中，以及(e)在聚合釜中，在步骤(d)转移的一种或多种有机过氧化物存在下，对单体进行(共)聚合，其中步骤(a)-(e)都在同一地点进行。
• SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20170210701A1

  公开（公告）日：2017-07-27

  The invention relates to cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes of general formula (I), or the salts thereof, where [X-Y], Q, R 1 , R 2 , A 1 , A 2 , V, W, m and n have the definitions specified in the description. The invention also relates to a production method for same and to the use of same for increasing stress tolerance in plants against abiotic stress, and/or for increasing the plant yield.

  该发明涉及一般式(I)的氰基环烷基戊二烯、氰基环烷基戊-2-炔、氰基杂环烷基戊二烯和氰基杂环烷基戊-2-炔，或其盐，其中[X-Y]、Q、R1、R2、A1、A2、V、W、m和n的定义如描述中所指定。该发明还涉及同类物质的生产方法以及将其用于增加植物对非生物胁迫的抗逆性和/或增加植物产量。
• Biologically active quassinoids : synthetic methodology for the conversion of chaparrin into glaucarubolone esters and quassinoid analogs
  作者：Subodh C. Bhatnagar、Andrew J. Caruso、Judith Polonsky、Berta Soto Rodriguez

  DOI：10.1016/s0040-4020(01)81638-0

  日期：1987.1

  Biologically inactive but easily available chaparrin has been converted into potent antileukemic C-15 esters of glaucarubolone and quassinoid analogs in which the C-15 ester side chain has been replaced by an alkyl or alkenyl group.The synthetic methodology developed has been applied to the preparation of C-15 ester derivatives , , and quassinoid analogs , and .

  生物无活性但易于获得的查帕林已被转化为有效的抗青光油酮类C-15酯和类古朴素类似物，其中C-15酯侧链已被烷基或烯基取代，开发的合成方法已用于制备的C-15的酯衍生物，，和quassinoid类似物，和。
• Bruceolides
  申请人：Research Corporation

  公开号：US04350638A1

  公开（公告）日：1982-09-21

  There are provided two synthetic routes to the known potent anti-leukemic quassinoid bruceantin from the more readily available bruceoside-A and -B. Certain of the intermediate compounds produced in the synthetic sequence as well as bruceantin itself have been shown to possess anti-malarial properties.

  提供了两种合成路径，可以从更容易获得的bruceoside-A和-B合成已知有效的抗白血病的quassinoid bruceantin。合成序列中产生的某些中间化合物以及bruceantin本身已被证明具有抗疟疾特性。