(E)-乙酸-2-甲基-2-丁烯酯 | 19248-94-3

• 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
• 中文名称: (E)-乙酸-2-甲基-2-丁烯酯
• 中文别名: (E)-乙酸-2-甲基-2-丁烯酯英文名称：2-methyl-,acetate,(E)-2-Buten-1-ol
• 英文名称: Essigsaeure-<(E)-2-methyl-2-butenyl>ester
• 英文别名: (E)-2-methylbut-2-en-1-yl acetate；2-methyl-(2E)-butenyl acetate；2-Methyl-trans-but-2-en-1-yl Acetat；2-Methyl-trans-crotylaldehyd-acetat；2-Methyl-trans-buten-(2)-yl-acetat；1-Acetoxy-2-methyl-buten-2；2-Buten-1-ol, 2-methyl-, acetate, (2E)-；[(E)-2-methylbut-2-enyl] acetate
• CAS: 19248-94-3
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: LYFIKZOWBKYNSE-GQCTYLIASA-N

物化性质

• LogP：
  2.017 (est)
• 保留指数：
  1198;1199;1250;1232

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  3
• 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)-乙酸-2-甲基-2-丁烯酯 在 氢氟酸 作用下， 以 乙腈 、 苯 为溶剂， 生成 Acetic acid (4R,5R)-3-(1-hydroxy-1-methyl-ethyl)-4,5-dimethyl-4,5-dihydro-isoxazol-5-ylmethyl ester
  参考文献：
  名称：

  Reductive cleavage of highly substituted Δ2-isoxazolines. Synthesis of crispatic acid

  摘要：

  DOI：

  10.1016/s0040-4039(00)85083-2
• 作为产物：
  描述：

  3-甲基-3-丁烯-2-醇 在 吡啶 作用下， 生成 (E)-乙酸-2-甲基-2-丁烯酯
  参考文献：
  名称：

  Rearrangement of esters in the gas phase. II. Substituent effects on the rate of isomerization of allylic esters

  摘要：

  DOI：

  10.1021/ja01005a020

文献信息

• 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME
  申请人：Shibata Norio

  公开号：US20110319637A1

  公开（公告）日：2011-12-29

  A 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethyl group introduction agent that is effective as an intermediate in pharmaceutical and agrochemical synthesis, a production method thereof, and a production method of a monofluoromethyl group-containing compound using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative are provided. The 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative represented by the following general formula (1) (wherein R 1 , R 2 , R 3 , and R 4 each independently represent a hydrogen atom, a straight-chain or branched alkyl group having 1 to 4 carbon atoms, a straight-chain or branched alkyloxy group having 1 to 4 carbon atoms, a halogen atom, a nitro group, or a cyano group), the production method thereof, and various monofluoromethyl group-containing compounds are manufactured using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethylating agent.

  一种2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基基团引入剂，可作为制药和农药合成中间体，提供其生产方法，以及使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物制备含单氟甲基基团的化合物的生产方法。所述2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物由下述通用式（1）表示（其中R1、R2、R3和R4各自独立地表示氢原子、具有1至4个碳原子的直链或支链烷基基团、具有1至4个碳原子的直链或支链烷氧基基团、卤素原子、硝基团或氰基团），提供其生产方法，并使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基化剂制造各种含单氟甲基基团的化合物。
• Die Stereochemie der fragmentierenden Enthalogenierung von 1-Chlor-1-fluor-2-(1-halogenalkyl)cyclopropanen
  作者：Bojana Spahi?、Manfred Schlosser

  DOI：10.1002/hlca.19800630516

  日期：1980.7.9

  The Stereochemistry of the Fragmentative Dehalogenation of 1-Chloro-1-fluoro-2-(1-halogenalkyl)cyclopropanes

  1-氯-1-氟-2-（1-卤代烷基）环丙烷的片段化脱卤的立体化学
• Process for the preparation of vinyl- or allyl-containing compounds
  申请人：Ishii Yasutaka

  公开号：US20070213549A1

  公开（公告）日：2007-09-13

  A vinyl- or allyl-containing compound represented by following Formula (3): wherein R 2 , R 3 , R 4 , R 5 , and R 6 each represent hydrogen atom or a nonmetallic atom-containing group; R 7 represents a nonmetallic atom-containing group; Y represents a group selected from the group consisting of —Si(R 8 ) (R 9 ) —, —Si(R 10 ) (R 11 )—O—, the left hand of which is combined with R 7 , and —NR 12 —, wherein R 8 , R 9 , R 10 , R 11 , and R 12 each represent hydrogen atom or a nonmetallic atom-containing group; and “n” represents 0 or 1, is prepared by reacting a vinyl or allyl ester compound represented by following Formula (1): wherein R 1 represents hydrogen atom or a nonmetallic atom-containing group; R 2 , R 3 , R 4 , R 5 , R 6 , and “n” are as defined above, with a compound represented by following Formula (2): R 7 —Y—H   (2) wherein R 7 and Y are as defined above, in the presence of a transition element compound.

  由以下公式（3）表示的含乙烯基或烯丙基的化合物： 其中R2、R3、R4、R5和R6分别代表氢原子或含非金属原子的基团；R7代表含非金属原子的基团；Y代表从—Si（R8）（R9）—，—Si（R10）（R11）—O—，其中左侧与R7结合，以及—NR12—中选择的基团，其中R8、R9、R10、R11和R12分别代表氢原子或含非金属原子的基团；“n”代表0或1，通过将以下公式（1）表示的乙烯酯或烯丙酯化合物与以下公式（2）表示的化合物： R7—Y—H 其中R7和Y如上定义，在过渡金属化合物存在下反应而制备。
• METHOD FOR MANUFACTURING KETONE
  申请人：Kaneda Kiyotomi

  公开号：US20120197036A1

  公开（公告）日：2012-08-02

  A method for manufacturing a ketone, includes oxidizing an internal olefin or a cyclic olefin having a functional group containing a hetero atom and one carbon-carbon double bond or more at a position other than terminals of a molecule thereof in an amide-based solvent in the presence of water, a palladium catalyst, and molecular oxygen, without oxidizing the functional group, thereby bonding an oxo group to at least one of the carbon atoms constituting the carbon-carbon double bond. The amide-based solvent is represented by formula (1): wherein R 1 represents an alkyl group having 1 to 4 carbon atoms; R 2 and R 3 each independently represent an alkyl group having 1 to 4 carbon atoms or an aryl group; and when R 1 and R 2 are alkyl groups, R 1 and R 2 may be bonded to each other to form a ring structure.

  一种制备酮的方法，包括在酰胺基溶剂中，在水、钯催化剂和分子氧的存在下氧化具有异原子和一个或多个碳碳双键的内部烯烃或环烯烃，其功能团位于分子的端部以外的位置，而不氧化功能团，从而将氧代基键合到构成碳碳双键的至少一个碳原子上。酰胺基溶剂由式（1）表示：其中R1代表具有1至4个碳原子的烷基基团；R2和R3各自独立地代表具有1至4个碳原子的烷基基团或芳基；当R1和R2为烷基基团时，R1和R2可以结合在一起形成环结构。
• Process for producing allyl-containing compounds
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1452516A2

  公开（公告）日：2004-09-01

  An allyl-containing compound represented by following Formula (3): wherein R2, R3, R4, R5 and R6 may be the same as or different from one another and each represent hydrogen atom or an organic group; R7 represents an organic group; and Y represents oxygen atom or sulfur atom, is produced by reacting an allyl ester compound represented by following Formula (1): wherein R1 represents hydrogen atom or an organic group; and R2, R3, R4, R5 and R6 are as defined above, with a compound represented by following Formula (2):         R7-Y-H     (2) wherein R7 is an organic group; and Y is as defined above, in the presence of at least one transition element compound.

  通过将以下化学式（1）所表示的烯丙基酯化合物与以下化学式（2）所表示的化合物在至少一种过渡金属化合物的存在下反应，可以制得以下化学式（3）所表示的含烯丙基化合物：其中R2、R3、R4、R5和R6可以相同或不同，且分别表示氢原子或有机基团；R7表示有机基团；Y表示氧原子或硫原子；化学式（1）中R1表示氢原子或有机基团；化学式（2）中R7表示有机基团，Y的含义如上所述。