1,2-二氟-1,1-二苯基乙烷 | 379-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2-二氟-1,1-二苯基乙烷
• 英文名称: 1,2-Difluoro-1,1-diphenylethane
• 英文别名: 1,1-Diphenyl-1,2-difluor-aethan；1,2-Difluor-1,1-diphenyl-aethan；1.2-Difluor-1.1-diphenyl-aethan；1,1-Diphenyl-1,2-difluoraethan；1,2-Difluor-1,1-diphenylaethan；1,2-Difluoro-1,1-diphenylethan；(1,2-difluoro-1-phenylethyl)benzene
• CAS: 379-83-9
• 化学式: C₁₄H₁₂F₂
• 分子量: 218.246
• InChiKey: CSOQQTVKKYCHCX-UHFFFAOYSA-N

物化性质

• 熔点：
  66 °C
• 沸点：
  135-145 °C(Press: 14 Torr)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-二氟-1,1-二苯基乙烷 在 水 作用下， 以 二氯甲烷 为溶剂， 生成 2-fluoro-1,1-diphenylethanol
  参考文献：
  名称：

  Fluorination with xenon difluoride. Reaction with phenylsubstituted olefins

  摘要：

  DOI：

  10.1021/jo00887a015
• 作为产物：
  描述：

  1,1-二苯乙烯 在 氢氟酸 二氟代氙 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 1,2-二氟-1,1-二苯基乙烷
  参考文献：
  名称：

  Fluorination with XeF2. Part 40. The Important Role of .pi.-Bond Disruption in Fluorine Addition to Phenyl-Substituted Alkenes

  摘要：

  Ionization potentials (IP) for 11 mono- and alpha,alpha-diphenyl-substituted acyclic and cyclic alkenes 1-11 were measured under the same conditions, using a mass spectrometric technique and applying electron impact ionization. The values, ranging from 8.68 eV for styrene (1) to as low as 7.67 eV for 1,2-dihydro-4-phenylnaphthalene (10), were correlated with the logarithms of the relative rates (k(rel), relative to 1,1-diphenylethene) of fluorine addition across the carbon-carbon double bond in HF-catalyzed reaction of the alkenes with XeF2 in CH2Cl2 at room temperature. The linear relationship between log k(rel) and IP with a regression slope of -2.08 and a correlation constant of 0.942, presented for the first time for any fluorination reaction of organic compounds, demonstrates that ct-bond disruption is the rate-determining step in the fluorine addition process for the series of alkenes 1-11. The course of reaction of the series of three 1-phenyl-benzocyclenes (10-12) with XeF2 was investigated. The addition-elimination process, forming 3-phenyl-2-fluoro-1H-indene (15a), was found exclusively in the case of 9-phenyl-1H-indene (12), while the formation of diastereoisomeric pairs of vicinal difluorides (13 and 14), with the trans isomers slightly predominant, was established in the case of 1,2-dihydro-4-phenylnaphthalene (10) and 6,7-dihydro-9-phenyl-5H-benzocycloheptene (11). On heating the vicinal difluorides 13 and 14 HF was released, thus yielding 3-fluoro-4-phenyl-1,2-dihydronaphthalene (15b) and 6,7-dihydro-8-fluoro-9-phenyl-5H-benzocycloheptene (15c), respectively.

  DOI：

  10.1021/jo00099a015

文献信息

• Utility of silicon tetrafluoride as a catalyst of reactions with xenon difluoride: fluorinations of phenyl alkenes and benzaldehydes
  作者：Masanori Tamura、Toshiyuki Takagi、Heng-dao Quan、Akira Sekiya

  DOI：10.1016/s0022-1139(99)00103-7

  日期：1999.9

  Application of silicon tetrafluoride to fluorinations with xenon difluoride as a catalyst is investigated. It was found that vic-difluorination of phenyl alkenes and transformation of benzaldehydes to difluoromethoxybenzenes using xenon difluoride are enhanced by silicon tetrafluoride.

  研究了四氟化硅在以二氟化氙为催化剂的氟化反应中的应用。已经发现，使用四氟化氙可以增强苯基烯烃的vic-二氟化作用和使用二氟化氙将苯甲醛转化为二氟甲氧基苯。
• Fluorination with caesium fluoroxysulphate. Room temperuture flourination of phenyl substituted olefins
  作者：Stojan Stavber、Marko Zupan

  DOI：10.1016/s0040-4020(01)88055-8

  日期：1986.1

  Room-temperature fluorination of 1,1-diphenylethene with caesium fluoroxysulphate in methylene chloride resulted in an addition elimination process, thus yielding 1, 1-diphenyl-2-fluoroethene, while in the presence of nucleophile containing species, i.e., hydrogen fluoride, methanol, or acetic acid, either vicinal difluorides, methoxy fluorides or acetoxy fluorides were formed. Reaction with norbornene

  在二氯甲烷中用氟代硫酸铯在室温下氟化1,1-二苯基乙烯导致加成消除过程，从而生成1,1-二苯基-2-氟乙烯，同时存在含有亲核试剂的物质，即氟化氢，甲醇或乙酸，形成邻位二氟化物，甲氧基氟化物或乙酰氧基氟化物。在没有亲核试剂的情况下与降冰片烯反应仅产生7-氟降三环烷和7-syn-氟降冰片-2-烯，而与2-苯基丙-1-烯的类似反应得到3-氟和3,3-二氟-2-苯基丙酯-1-烯。在各种亲核试剂供体（例如氟化氢，甲醇或氢）的存在下，用氟代硫酸铯转化1,1-二苯基丙-1-烯，1,1-二苯基-2-氟乙烯和1,1-二苯基-2-溴乙烯。醋酸，
• POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP2915803A1

  公开（公告）日：2015-09-09

  The present invention relates to a polyisocyanate composition comprising, on the basis of the total mass of the polyisocyanate composition, 97 weight % or more of a polyisocyanate, and 2.0 mass ppm or more and 1.0×104 mass ppm or less of a compound having at least one unsaturated bond in which the compound is a different compound from the polyisocyanate, or 5.0 mass ppm or more and 2.0×104 mass ppm or less of at least one inactive compound selected from the group consisting of a hydrocarbon compound, an ether compound, a sulfide compound, a halogenated hydrocarbon compound, a Si-containing hydrocarbon compound, a Si-containing ether compound, and a Si-containing sulfide compound.

  本发明涉及一种多异氰酸酯组合物，以该多异氰酸酯组合物的总质量为基准，该组合物包含 97 重量％或以上的多异氰酸酯，以及 2.0 质量 ppm 或以上且 1.0×104 质量 ppm 或以下的至少具有一个不饱和键的化合物，其中该化合物是与多异氰酸酯不同的化合物，或 5.0 质量 ppm 或以上且 2.0×104 质量 ppm 或以下的至少一种非活性化合物，该化合物选 自烃化合物、醚化合物、硫化物化合物、卤代烃化合物、含硅烃化合物、含硅醚化合物和含硅硫 化物组成的组。
• ISOCYANATE COMPOSITION, ISOCYANATE POLYMER PRODUCTION METHOD, AND ISOCYANATE POLYMER
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：EP3527603A1

  公开（公告）日：2019-08-21

  The present invention provides an isocyanate composition including an isocyanate compound having an ethylenically unsaturated bond, a compound represented by formula (1) (in the formula, R1 represents an a-valent organic group, R2 represents a monovalent organic group, a represents an integer of 1 or 2), and/or a compound having a UV absorption in a spectral region of a decamer or higher isocyanate measured by gel permeation chromatography; and an isocyanate composition including an isocyanate compound having an ethylenically unsaturated bond, or a compound having at least one unsaturated bond other than an unsaturated bond constituting an aromatic ring or an inert compound such as a hydrocarbon compound or the like and having a carbon-carbon unsaturated bond other than an unsaturated bond constituting an aromatic ring; or the like.         R1-(COO-R2)a     (1)

  本发明提供了一种异氰酸酯组合物，包括具有乙烯不饱和键的异氰酸酯化合物、由式(1)代表的化合物（式中，R1代表一价有机基团，R2代表一价有机基团，a代表1或2的整数），和/或通过凝胶渗透色谱法测量在十聚体或更高异氰酸酯光谱区具有紫外吸收的化合物；异氰酸酯组合物，包括具有乙烯不饱和键的异氰酸酯化合物，或具有至少一个不饱和键（构成芳香环的不饱和键除外）的化合物，或惰性化合物（如烃类化合物等），且具有碳-碳不饱和键（构成芳香环的不饱和键除外）的化合物；或类似物。 R1-(COO-R2)a (1)
• ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：EP3527600A1

  公开（公告）日：2019-08-21

  An isocyanate composition according to the present invention contains: a difunctional or more-functional isocyanate compound; and 1.0 ppm by mass to 1.0 × 104 ppm by mass, based on the isocyanate compound, of a compound having at least one unsaturated bond excluding unsaturated bonds constituting an aromatic ring, the compound being different from the isocyanate.

  根据本发明的异氰酸酯组合物含有：双官能团或更多官能团的异氰酸酯化合物；以及以异氰酸酯化合物为基准，质量分数为 1.0 ppm 至 1.0 × 104 ppm 的化合物，该化合物具有至少一个不饱和键，不包括构成芳香环的不饱和键，该化合物不同于异氰酸酯。