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2,3-Dimethyl-2-pentenoic Acid | 90969-18-9

中文名称
——
中文别名
——
英文名称
2,3-Dimethyl-2-pentenoic Acid
英文别名
(E)-2,3-dimethylpent-2-enoic acid;2,3-dimethyl-pent-2-enoic acid;2,3-Dimethyl-pent-2-ensaeure;2,3-Dimethylpent-2-enoic acid
2,3-Dimethyl-2-pentenoic Acid化学式
CAS
90969-18-9
化学式
C7H12O2
mdl
——
分子量
128.171
InChiKey
URRYFCLLPGIYQS-AATRIKPKSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    228.2±9.0 °C(Predicted)
  • 密度:
    0.971±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

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2,3-Dimethyl-2-pentenoic Acid三聚氯氰三乙胺 作用下, 以 四氢呋喃 为溶剂, 生成 2,3-dimethyl-pent-2-enoyl chloride
    参考文献:
    名称:
    催化对映选择性纳扎罗夫环化
    摘要:
    描述了不对称 Nazarov 环化的详细说明,该环化导致 α-羟基环戊烯酮带有邻位、全碳原子四级中心或邻位四级和三级中心。全脂肪族的例子代表了最大的挑战,因为二烯酮起始材料不会被芳基活化成环化。还描述了底物的合理设计和优化与手性布朗斯台德酸催化剂的优化以及完全取代的环戊烯酮产物的一系列非对映选择性转化。
    DOI:
    10.1002/ejoc.201701117
  • 作为产物:
    描述:
    ethyl 3-hydroxy-2,3-dimethylpentanoate 在 乙酸酐 作用下, 生成 2,3-Dimethyl-2-pentenoic Acid
    参考文献:
    名称:
    Abbott; Kon; Satchell, Journal of the Chemical Society, 1928, p. 2519
    摘要:
    DOI:
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文献信息

  • [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON ET LEURS PROCÉDÉS D'UTILISATION
    申请人:JANSSEN PHARMACEUTICA NV
    公开号:WO2018103058A1
    公开(公告)日:2018-06-14
    Compounds of formula (I') and methods of their use and preparation, as well as compositions comprising compounds of formula (I').
    公式(I')的化合物及其使用和制备方法,以及包含公式(I')化合物的组合物。
  • [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。
  • Catalytic Enantioselective Nazarov Cyclization
    作者:Anais Jolit、Cody F. Dickinson、Kei Kitamura、Patrick M. Walleser、Glenn P. A. Yap、Marcus A. Tius
    DOI:10.1002/ejoc.201701117
    日期:2017.11.2
    The detailed account of an asymmetric Nazarov cyclization that leads to α-hydroxycyclopentenones bearing either vicinal, all-carbon atom quaternary centers, or vicinal quaternary and tertiary centers is described. The all-aliphatic examples represent the greatest challenge as the dienone starting materials are not activated toward cyclization by an aryl group. The rational design and optimization of
    描述了不对称 Nazarov 环化的详细说明,该环化导致 α-羟基环戊烯酮带有邻位、全碳原子四级中心或邻位四级和三级中心。全脂肪族的例子代表了最大的挑战,因为二烯酮起始材料不会被芳基活化成环化。还描述了底物的合理设计和优化与手性布朗斯台德酸催化剂的优化以及完全取代的环戊烯酮产物的一系列非对映选择性转化。
  • Process for Preparing an Overbased Detergent
    申请人:Kocsis A. Jody
    公开号:US20060178278A1
    公开(公告)日:2006-08-10
    The invention relates to a process for preparing an overbased metal detergent in an oil medium comprising the steps of: (1) providing a metal salt selected from the group consisting of a hydrocarbyl-substituted organic acid; a hydrocarbyl-substituted phenol, a phenate, a hydrocarbyl-substituted carboxylate and mixtures thereof; (2) further providing methanol and a mixture of alcohols containing 2 to about 7 carbon atoms, wherein the mole ratio of methanol to the mixture of alcohols is about 2.2 or less, to form a mixture; (3) further providing a basic metal compound; (4) reacting the mixture of step (3) with carbon dioxide to form a carbonated overbased metal sulphonate; (5) performing steps (3) and (4) at least three additional times upon the product of step (4); (6) thereafter removing at least a portion of the water produced in steps (1)-(5) and of the alcohols introduced in step (2); (7) performing step (2) again, upon the product of step (6); (8) performing steps (3) and (4) at least two additional times upon the product of step (7); and (9) thereafter removing a substantial portion of the water and of the alcohols from the composition; wherein the oil medium is present in an amount such that the weight ratio of the acid corresponding to the metal salt of (1) to the oil medium is 0.3 to 1.4; and wherein step (6) is required when the hydrocarbyl-substituted organic acid is a hydrocarbyl-substituted sulphonic acid. The invention further relates to its use in internal combustion engines.
    该发明涉及一种在油介质中制备过基金属清洁剂的方法,包括以下步骤:(1)提供一种选自羟烃基取代有机酸、羟烃基取代酚、酚酸盐、羟烃基取代羧酸盐及其混合物的金属盐;(2)进一步提供甲醇和含有2至约7个碳原子的醇混合物,其中甲醇与醇混合物的摩尔比约为2.2或更低,形成混合物;(3)进一步提供一种碱性金属化合物;(4)将步骤(3)的混合物与二氧化碳反应,形成碳酸盐过基金属磺酸盐;(5)对步骤(4)的产物至少进行三次以上的步骤(3)和(4);(6)随后至少去除步骤(1)至(5)中产生的部分水和步骤(2)中引入的醇;(7)对步骤(6)的产物再次执行步骤(2);(8)对步骤(7)的产物至少进行两次以上的步骤(3)和(4);(9)随后从组合物中去除大部分水和醇;其中油介质的量使得步骤(1)中金属盐对应的酸与油介质的重量比为0.3至1.4;当羟烃基取代有机酸为羟烃基取代磺酸时,需要步骤(6)。该发明还涉及该方法在内燃机中的应用。
  • Process for preparing peroxides using mixed anhydrides
    申请人:——
    公开号:US20040049070A1
    公开(公告)日:2004-03-11
    The invention relates to a process for the preparation of a peracid, perester or diacylperoxide and is characterized in that a mixed anhydride of formula R 1 [C(O)OC(O)OR 2 ] n or [R 3 C(O)OC(O)O] p R 4 is contacted with a hydroperoxide of formula R 5 [OOH] m in the presence of a base, wherein R 1 represents a mono-, di-, tri- or tetravalent C 1 -C 19 hydrocarbon group, optionally containing one or more hetero atoms, n is 1-4, R 2 represents a C 1 -C 20 hydrocarbon group, optionally containing one or more hetero atoms, R 3 represents a C 1 -C 19 hydrocarbon group, optionally containing one or more hetero atoms, R 4 represents a di-, tri- or tetravalent C 1 -C 20 hydrocarbon group, optionally containing one or more hetero atoms, p is 2-4, R 5 represents hydrogen or a mono- or divalent C 3 -C 18 tertiary alkyl or C 2 -C 20 acyl group, in which the tertiary alkyl or acyl group may optionally contain one or more hetero atoms, m is 1 or 2, and if R 5 represents hydrogen, m is 1, provided that if the hydroperoxide is an &agr;,&agr;′-dihydroperoxyperoxide, the reaction is not carried out in an inert two-phase solvent system comprising a polar solvent and an apolar solvent. The invention also relates to a hydroxyperacid, hydroxyperester, and hydroxydiacylperoxide obtainable by said process and the use of said hydroxyperoxides.
    本发明涉及一种制备过酸、过酯或双酰过氧化物的方法,其特征在于将式R1[C(O)OC(O)OR2]n或[R3C(O)OC(O)O]pR4的混合酸酐与式R5[OOH]的过氧化氢在碱的存在下接触,其中R1表示一个单、双、三或四价的C1-C19烃基,可选地含有一个或多个杂原子,n为1-4,R2表示一个C1-C20烃基,可选地含有一个或多个杂原子,R3表示一个C1-C19烃基,可选地含有一个或多个杂原子,R4表示一个双、三或四价的C1-C20烃基,可选地含有一个或多个杂原子,p为2-4,R5表示氢或一个单价或双价的C3-C18三级烷基或C2-C20酰基,其中该三级烷基或酰基可选地含有一个或多个杂原子,m为1或2,如果R5表示氢,则m为1,但如果过氧化氢是α,α'-二过氧基过氧化物,则不在惰性双相溶剂系统中进行反应,该系统包括一个极性溶剂和一个非极性溶剂。本发明还涉及通过该方法获得的羟基过酸、羟基过酯和羟基双酰过氧化物以及所述羟基过氧化物的用途。
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