3,4-环氧-2-苯基-1,1,1-三氟-2-丁醇 | 351003-37-7

• 物质功能分类: 化学试剂 - 有机试剂 - 环氧化物
• 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: 3,4-环氧-2-苯基-1,1,1-三氟-2-丁醇
• 英文名称: 2,2,2-trifluoro-1-(oxiran-2-yl)-1-phenylethanol
• 英文别名: 3,4-epoxy-2-phenyl-1,1,1-trifluoro-2-butanol
• CAS: 351003-37-7
• 化学式: C₁₀H₉F₃O₂
• mdl: MFCD03427132
• 分子量: 218.175
• InChiKey: ZVHBUEYSUVEOKE-UHFFFAOYSA-N

物化性质

• 熔点：
  83-88 °C (lit.)
• 沸点：
  288.9±40.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  32.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2910900090

反应信息

• 作为反应物：
  描述：

  (1R)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-(4-fluorophenyl)-2-phenylethan-1-amine 、 3,4-环氧-2-苯基-1,1,1-三氟-2-丁醇 在 ytterbium(III) triflate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 72.0h， 以37%的产率得到1,1,1-trifluoro-4-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethylamino)-2-phenylbutane-2,3-diol
  参考文献：
  名称：

  WO2007/62308

  摘要：

  公开号：

文献信息

• Catalytic multicomponent reaction between nitroalkanes, elemental sulfur, and oxiranes
  作者：Mehdi Khalaj、Mahboubeh Taherkhani、Fereshteh Naderi、Seyed Mahmoud Mousavi-Safavi

  DOI：10.1007/s00706-017-2067-9

  日期：2018.1

  nitroalkanes and elemental sulfur with oxiranes was developed with the aid of silver salt. This reaction procedure provides a novel and practical strategy for the rapid assembly of 1,3-oxathiolane skeletons. The reaction exhibited remarkable functional group tolerability and regio-selectivity so that only one regio-isomer formed during the ring opening of oxiranes. Graphical abstract

  摘要借助银盐开发了硝基烷烃和元素硫与环氧乙烷的有效多组分反应。该反应过程为快速组装1,3-氧杂硫杂环戊烷骨架提供了一种新颖而实用的策略。该反应显示出显着的官能团耐受性和区域选择性，因此在环氧乙烷的开环过程中仅形成一种区域异构体。 图形概要
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。
• SYNTHESIS OF CYCLIC TRITHIOCARBONATES FROM EPOXIDES
  申请人：Parker Kenton Dane

  公开号：US20060004210A1

  公开（公告）日：2006-01-05

  This invention provides a low cost technique for synthesizing cyclic trithiocarbonates by a simple one step process from epoxides that can be conducted under atmospheric pressure. This synthesis can be depicted as follows: wherein R represents a moiety selected from the group consisting of alkyl groups and aryl groups, wherein R′ represents a moiety selected from the group consisting of alkyl groups, aryl groups, and hydrogen atoms, and wherein R″ represents a moiety selected from the group consisting of alkyl groups, aryl groups, and hydrogen atoms, wherein the R moiety and the R′ moiety can be bonded together to form a cyclic structure, with the proviso that R″ represents a hydrogen atom if R′ represents an alkyl group or an aryl group. In this process carbon disulfide and a thiocyanate salt, such as potassium thiocyanate, are reacted with the epoxide in an ionic liquid, such as 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim] PF 6 ) in the presence of water to produce the cyclic trithiocarbonate.

  这项发明提供了一种低成本的技术，通过简单的一步法从环氧化物合成环状三硫代碳酸酯，可以在大气压下进行。该合成可表示为：其中R代表从烷基和芳基组成的基团，R'代表从烷基、芳基和氢原子组成的基团，R''代表从烷基、芳基和氢原子组成的基团，其中R基团和R'基团可以结合形成环状结构，但前提是如果R'代表烷基或芳基，则R''代表氢原子。在该过程中，二硫化碳和硫氰酸盐（如硫氰酸钾）与环氧化物在离子液体（如1-丁基-3-甲基咪唑六氟磷酸盐[Bmim] PF6）中在水的存在下反应，生成环状三硫代碳酸酯。
• Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10730858B2

  公开（公告）日：2020-08-04

  The present invention provides compounds of Formula (I): Formula (I) or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式 (I) 的化合物：式（I）或其立体异构体、同系物或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性 ROCK 抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗心血管、平滑肌、肿瘤、神经病理、自身免疫、纤维化和/或炎症性疾病的方法。
• Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes
  申请人：Heraeus Precious Metals North America Conshohocken LLC

  公开号：US11289238B2

  公开（公告）日：2022-03-29

  A solvent-free electroconductive composition may be used to make electroconductive lines on a surface of a substrate or electroconductive plugs within via holes of a substrate. The solvent-free electroconductive composition is generally made of about 40 to about 95 wt % of a conductive component, about 4 to about 30 wt % of a polymer or oligomer comprising a reactive functional group, up to about 20 wt % of a monomeric diluent comprising a reactive functional group, and up to about 3 wt % of a curing agent. In some instances, the solvent-free electroconductive composition further includes up to about 3 wt % of a lubricating compound. Substrates made using solvent-free electroconductive compositions may be used in printed circuit boards, integrated circuits, solar cells, capacitors, resistors, thermistors, varistors, resonators, transducers, inductors, and multilayer ferrite beads.

  无溶剂导电组合物可用于在基材表面制作导电线或在基材通孔内制作导电塞。无溶剂导电组合物一般由约 40 至约 95 wt % 的导电成分、约 4 至约 30 wt % 含有活性官能团的聚合物或低聚物、最多约 20 wt % 含有活性官能团的单体稀释剂和最多约 3 wt % 的固化剂组成。在某些情况下，无溶剂导电组合物还包括最多约 3 wt % 的润滑化合物。使用无溶剂导电组合物制成的基板可用于印刷电路板、集成电路、太阳能电池、电容器、电阻器、热敏电阻器、压敏电阻器、谐振器、传感器、电感器和多层铁氧体磁珠。