1,1-二氟环庚烷 | 27371-42-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 1,1-二氟环庚烷
• 英文名称: 1,1-difluorocycloheptane
• 英文别名: 1.1-Difluor-cycloheptan
• CAS: 27371-42-2
• 化学式: C₇H₁₂F₂
• 分子量: 134.169
• InChiKey: QMPLRMBRFCVKDN-UHFFFAOYSA-N

物化性质

• 沸点：
  124.9±13.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1,1-二氟环庚烷 在 aluminum oxide 作用下， 以 四氯化碳 为溶剂， 生成 1-Fluorcyclohepten
  参考文献：
  名称：

  Organic reactions at alumina surfaces. A mechanistic and synthetic study of sulfonate ester elimination reactions effected by chromatographic alumina

  摘要：

  DOI：

  10.1021/jo00439a014
• 作为产物：
  描述：

  环庚酮 在 phenylsulfur trifluoride 作用下， 生成 1,1-二氟环庚烷
  参考文献：
  名称：

  核磁共振波谱。环庚烷和环庚烯衍生物的构象平衡

  摘要：

  对 4,4-二氟-1,1-二甲基环庚烷的 ^(19)F 核磁共振 (nmr) 光谱的温度依赖性的研究表明，在低温下，该物质主要以扭椅构象存在与轴碳原子上的甲基。1,1-二氟-4,5-反式-二溴环庚烷在低温下主要以两种不同的构象存在，氟原子位于轴碳原子上。5,5-二氟环庚烯在低温下以单一构象存在，最好用椅子来表示。已经获得了这些衍生物的构象平衡的活化参数。对于 1,1-二氟环庚烷、1,1,3,3-四氟环庚烷和 4，

  DOI：

  10.1021/ja00772a015

文献信息

• Catalytic hydrogenolysis of cyclopropanes: Metal insertion into a saturated carbon—carbon bond as the key step
  作者：Yves Bessard、Manfred Schlosser

  DOI：10.1016/s0040-4020(01)86379-1

  日期：1991.1

  Hydrogenolytic ring cleavage of gem-difluorocydopropanes occurs exclusively at the carbon—carbon bond opposite to the halogen-bearing center and affords mainly gem-difluoroalkanes. The intermediacy of catalyst/cyclopropane derived adducts (e.g., palladacyclobutanes or 1,3-dipal]adiopropanes) is postulated in order to rationalize the formation of monofluorinated and halogen-free by-products and, in

  宝石-二氟环丙烷的氢解环裂解仅发生在与含卤素中心相反的碳-碳键处，并且主要提供宝石-二氟烷烃。假定催化剂/环丙烷衍生的加合物（例如，四环环丁烷或1,3-二棕榈二丙烷）的中间体是为了合理形成单氟化和无卤素的副产物，此外，还应解释对取代基的特定取代基效应。反应速度。
• FLUORINATED MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20140114080A1

  公开（公告）日：2014-04-24

  A fluorinated monomer has formula (1) wherein R 1 is H, F, methyl or trifluoromethyl, R 2 and R 3 are H or a monovalent hydrocarbon group, R 4 to R 6 each are a monovalent fluorinated hydrocarbon group, A is a divalent hydrocarbon group, and k 1 is 0, 1 or 2. A polymer derived from the fluorinated monomer may be endowed with appropriate water repellency, water slip, acid lability and hydrolysis and is useful as an additive polymer in formulating a resist composition.

  一种氟化单体具有式（1），其中R1为H，F，甲基或三氟甲基，R2和R3为H或单价烃基，R4到R6各自为单价氟化烃基，A为二价烃基，k1为0、1或2。从氟化单体衍生的聚合物可以赋予适当的抗水性、水滑性、酸性易变性和水解性，并且在制定抗蚀涂料组合物时作为添加聚合物是有用的。
• Amido-Thiophene Compounds and Their Use
  申请人：Webster Scott Peter

  公开号：US20130012545A1

  公开（公告）日：2013-01-10

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain amido-thiophene compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明通常涉及治疗化合物领域。更具体地，本发明涉及某些酰胺噻吩化合物，其在其他方面抑制11β-羟化固醇脱氢酶1型（11β-HSD1）。本发明还涉及包括这些化合物的制药组合物，并且在体内外使用这些化合物和组合物来抑制11β-羟化固醇脱氢酶1型；治疗通过抑制11β-羟化固醇脱氢酶1型改善的疾病；治疗代谢综合征，包括2型糖尿病和肥胖症等疾病，以及相关疾病，包括胰岛素抵抗、高血压、脂质代谢紊乱和缺血性（冠状动脉）心脏病等心血管疾病；治疗CNS疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。
• 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)