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1-methoxy-1,3-cycloheptadiene | 98677-96-4

中文名称
——
中文别名
——
英文名称
1-methoxy-1,3-cycloheptadiene
英文别名
1-Methoxycyclohepta-1,3-diene
1-methoxy-1,3-cycloheptadiene化学式
CAS
98677-96-4
化学式
C8H12O
mdl
——
分子量
124.183
InChiKey
ZMRGAAGCXFKIQY-UHFFFAOYSA-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

计算性质

  • 辛醇/水分配系数(LogP):
    2.2
  • 重原子数:
    9
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    9.2
  • 氢给体数:
    0
  • 氢受体数:
    1

反应信息

  • 作为反应物:
    描述:
    1-methoxy-1,3-cycloheptadiene盐酸 作用下, 以 乙醇甲苯 为溶剂, 反应 25.0h, 生成 (5aS*,10bS*)-1H-2,3,4,5,5a,10b-hexahydro-9-hydroxybenzocycloheptafuran-4-one
    参考文献:
    名称:
    Controlling the stereochemistry of the ring junction in hexahydrodibenzofurans
    摘要:
    The 8-hydroxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-3-one formed during the acid-catalyzed rearrangement of 1,4,4a,8a-tetrahydro-1-methoxy-1,4-ethanonaphthalene-5,8-dione is, contrary to published reports, exclusively the cis isomer by X-ray crystallography. The stereochemical outcome of this intramolecular Michael addition results from the cyclid nature of the alpha,beta-unsaturated carbonyl, since, in acyclic systems, the addition product is a trans-2,3-disubstituted 2,3-dihydrobenzofuran. The trans relationship of the 2- and 3-substituents in the acyclic system was confirmed by annulation to the trans-8-hydroxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-3-one and X-ray crystallographic analysis of the 3-cyanohydrin.
    DOI:
    10.1021/jo00021a042
  • 作为产物:
    参考文献:
    名称:
    Thermodynamics of vinyl ethers. 31. Isomer equilibria in some six- and seven-membered cyclic dienes
    摘要:
    DOI:
    10.1021/jo00224a038
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文献信息

  • IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS
    申请人:AIR PRODUCTS AND CHEMICALS, INC.
    公开号:EP3141538A1
    公开(公告)日:2017-03-15
    A stabilized cyclic alkene composition comprising one or more cyclic alkenes, and at least one stabilizer compound having the Formula (I),          Formula (I)     R1,R2,R3,R4,R5(C6)OH wherein R1 through R5 can each independently be H, OH, C1-C8 linear, branched, or cyclic alkyl, C1-C8 linear, branched, or cyclic alkoxy or substituted or unsubstituted aryl, and wherein the stabilizer compound is present in an amount greater than 200 ppm. A method for forming a layer of carbon-doped silicon oxide on a substrate, which uses the stabilized alkene composition and a silicon containing compound.
    一种稳定环烯组合物,由一种或多种环烯和至少一种具有式 (I) 的稳定剂化合物组成、 式 (I) R1,R2,R3,R4,R5(C6)OH 其中 R1 至 R5 可以各自独立地为 H、OH、C1-C8 直链、支链或环状烷基、C1-C8 直链、支链或环状烷氧基或取代或未取代的芳基,稳定剂化合物的含量大于 200 ppm。 一种在基底上形成掺碳氧化硅层的方法,该方法使用稳定烯组合物和含硅化合物。
  • ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES
    申请人:FujiFilm Electronic Materials USA, Inc.
    公开号:EP1931613A2
    公开(公告)日:2008-06-18
  • Improved Process Stability of NBDE Using Substituted Phenol Stabilizers
    申请人:Air Products and Chemicals, Inc.
    公开号:EP2141141B1
    公开(公告)日:2016-09-28
  • Additives to prevent degradation of cyclic alkene derivatives
    申请人:Teff J. Daniel
    公开号:US20070057234A1
    公开(公告)日:2007-03-15
    A stabilized cyclic alkene composition comprising one or more cyclic alkenes, and at least one antioxidant compound having the formula (I), wherein R 1 through R 5 can each independently be H, OH, C 1 -C 8 linear, branched, or cyclic alkyl, C 1 -C 8 linear, branched, or cyclic alkoxy or substituted or unsubstituted aryl, and wherein the antioxidant compound is present in an amount between 1 ppm and 200 ppm, and wherein said composition is purged with at least one inert gas after said composition is introduced to a container intended for storage or shipping of said composition. A method for forming a layer of carbon-doped silicon oxide on a substrate, which uses the stabilized alkene composition and a silicon containing compound.
  • Additives to Prevent Degradation of Cyclic Alkene Derivatives
    申请人:Teff Daniel J.
    公开号:US20090291210A1
    公开(公告)日:2009-11-26
    This disclosure relates to compositions that includes (a) one or more substituted or unsubstituted cyclic alkenes, and (b) an antioxidant composition including at least one compound of Formula (I): R 1 through R 4 in Formula (I) are described in the specification.
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