4-(1-金刚烷基)苯基三氟甲磺酸酯 | 263398-16-9

• 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: 4-(1-金刚烷基)苯基三氟甲磺酸酯
• 英文名称: 4-(1-adamantyl)phenyl triflate
• 英文别名: 4-(adamantan-1-yl)phenyl trifluoromethanesulfonate；[4-(1-adamantyl)phenyl] trifluoromethanesulfonate
• CAS: 263398-16-9
• 化学式: C₁₇H₁₉F₃O₃S
• 分子量: 360.397
• InChiKey: WFYDWLVJOHAMEA-UHFFFAOYSA-N

物化性质

• 熔点：
  59-60 °C(Solv: methanol (67-56-1))
• 沸点：
  407.3±45.0 °C(Predicted)
• 密度：
  1.387±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2906299090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-(Adamantan-1-yl)phenyl trifluoromethanesulfonate
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-(Adamantan-1-yl)phenyl trifluoromethanesulfonate
CAS number: 263398-16-9

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, under −20◦C.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C17H19F3O3S
Molecular weight: 360.4

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, sulfur oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(1-金刚烷基)苯基三氟甲磺酸酯 在 四(三苯基膦)钯 氢氧化钾 、 copper(l) iodide 、 18-冠醚-6 、 triethylamine trihydrofluoride 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 52.17h， 生成 5-[4-(adamantan-1-yl)phenylethynyl]-2'-deoxyuridine
  参考文献：
  名称：

  5-Arylethynyl-2′-deoxyuridines, compounds active against HSV-1

  摘要：

  制备了三种含有大体积芳基的新的5-芳乙炔基-2'-脱氧尿苷，并在Vero细胞中测试了它们对HSV-1的活性。在一个无活性的化合物5-苯乙炔基-2'-脱氧尿苷的苯基中引入取代基，会导致其出现抗HSV的性质。活性最高的化合物是那些通过刚性三键连接到2'-脱氧尿苷的5位上的多环芳烃残基。

  DOI：

  10.1039/b516804j
• 作为产物：
  描述：

  1-溴金刚烷 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成 4-(1-金刚烷基)苯基三氟甲磺酸酯
  参考文献：
  名称：

  LIGHT EMITTING DIODE AND DISPLAY DEVICE INCLUDING THE SAME

  摘要：

  一种实施例的发光二极管包括第一电极，设置在第一电极上的空穴传输区域，设置在空穴传输区域上的发射层，设置在发射层上的电子传输区域，以及设置在电子传输区域上的第二电极。空穴传输区域包括邻近第一电极的第一空穴传输层，具有第一折射率；设置在发射层旁的第二空穴传输层，具有第二折射率；以及设置在第一空穴传输层和第二空穴传输层之间的第三空穴传输层，具有大于第一折射率和第二折射率的第三折射率，从而显示出高光提取效率和高发射效率特性。

  公开号：

  US20210234098A1

文献信息

• 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors
  申请人：Allergan Sales, Inc.

  公开号：US06403638B1

  公开（公告）日：2002-06-11

  Compounds having the formulas below, where R is H, lower alkyl, or a pharmaceutically acceptable salt, and where R1 represents i-propyl, t-butyl or n-butyl groups, have selective RXR retionoid agonist activity.

  具有以下化学式的化合物，其中R为H、低碳烷基或药用可接受的盐，R1代表异丙基、叔丁基或正丁基基团，具有选择性RXR类维甲酸受体激动剂活性。
• Dual Nickel-/Palladium-Catalyzed Reductive Cross-Coupling Reactions between Two Phenol Derivatives
  作者：Baojian Xiong、Yue Li、Yin Wei、Søren Kramer、Zhong Lian

  DOI：10.1021/acs.orglett.0c02165

  日期：2020.8.21

  Cross-coupling between substrates that can be easily derived from phenols is highly attractive due to the abundance of phenols. Here, we report a dual nickel-/palladium-catalyzed reductive cross-coupling between aryl tosylates and aryl triflates; both substrates can be accessed in just one step from readily available phenols. The reaction has a broad functional group tolerance and substrate scope (>60

  可以容易地衍生自苯酚的底物之间的交叉偶联由于苯酚的含量高而极具吸引力。在这里，我们报道了芳基甲苯磺酸盐和芳基三氟甲磺酸酯之间双重的镍/钯催化的还原交叉偶联。可以从一个容易获得的苯酚中仅一步之遥就获得两种底物。该反应具有宽泛的官能团耐受性和底物范围（> 60个实例）。此外，它显示出对空间效应的低敏感性，这是通过合成2,2'-二取代的联芳基和完全取代的芳基产物证明的。天然产品和药品中苯酚的广泛存在使简单的后期功能化成为可能，例如ezetimibe和酪氨酸。
• 아다만틸기를 가진 환상 아진 화합물, 제조 방법, 및 상기 화합물을 구성 성분으로서 함유하는 유기 전계발광소자
  申请人：TOSOH CORPORATION 토소가부시키가이샤(519980814796)

  公开号：KR20160032020A

  公开（公告）日：2016-03-23

  내열성이 우수하고, 유기 전계발광소자의 장수명화 혹은 발광 효율화가 우수한 전자 수송 재료에 이용하는 환상 아진 화합물의 제공. 하기 일반식(1)로 표시되는 환상 아진 화합물, 그 제조 방법 및 이것을 구성 성분으로 하는 유기 전계발광소자: 식 중, Ad; 각각 독립적으로, 1-아다만틸기 등, p 및 q; 각각 독립적으로, 0 또는 1, Ar 및 Ar; 각각 독립적으로, 단결합(단, p가 1 또는 q가 1일 때), 또는 페닐기 등으로 치환되어 있어도 되는 피리딜기 등, 또한, Ar 및 Ar 상의 Ad기는 각각 독립적으로, 상기 피리딜기 등에 결합하고 있음, Ar; 각각 독립적으로, 플루오린 원자 등으로 치환되어도 되는 탄소수 3 내지 13의 복소방향족기 등, X, X, X 및 X는 각각 독립적으로, 단결합 등, m 및 n; 각각 독립적으로, 0, 1 또는 2, Z; 질소 원자 등, n+p+q; 1, 2 또는 3.

  这是一段关于发光有机半导体材料的描述，描述了一种用于提高有机发光二极管长寿命和发光效率的虚拟芳香族化合物的提供。含有以下一般式(1)的虚拟芳香族化合物，其制备方法以及用其作为组分的有机发光二极管：在该式中，Ad; 分别独立地表示1-아다만틸기等，p和q; 分别独立地表示0或1，Ar和Ar; 分别独立地表示单键(但当p为1或q为1时)，或者可以是苯基等的取代吡啶基等，此外，Ar和Ar上的Ad基分别独立地连接到上述取代吡啶基等，Ar; 分别独立地表示可以被氟原子等取代的3到13个碳原子的复杂芳香族基等，X，X，X和X分别独立地表示单键等，m和n; 分别独立地表示0，1或2，Z; 氮原子等，n+p+q; 1, 2或3。
• 2,4-pentadienoic acid derivatives having selective activity for retinoid
  申请人：Allergan Sales, Inc.

  公开号：US06147224A1

  公开（公告）日：2000-11-14

  Compounds of Formula 1, Formula 2 or Formula 3 where X is O, S, or (CR.sub.1 R.sub.1).sub.n where n is 0, 1 or 2; Y is a bivalent radical having Formula 4 or Formula 5 where o is an integer from 1 to 4 ##STR1## or Y is a bivalent aryl or 5 or 6 membered heteroaryl radical having 1 to 3 heteroatoms selected from N, S and O, said aryl or heteroaryl groups being unsubstituted, or substituted with 1 to 3 C.sub.1-6 alkyl or with 1 to 3 C.sub.1-6 fluoroalkyl groups; and the remaining symbols have the meaning described in the specification, have RXR selective retinoid agonist-like activity.

  具有Formula 1、Formula 2或Formula 3的化合物，其中X为O、S或(CR.sub.1 R.sub.1).sub.n，其中n为0、1或2；Y为具有Formula 4或Formula 5的二价基团，其中o为1到4的整数，或者Y为具有1到3个异氮、硫和氧的杂原子的二价芳基或5或6成员杂芳基基团，所述芳基或杂芳基基团未取代，或者与1到3个C.sub.1-6烷基或1到3个C.sub.1-6氟烷基基团取代；其余符号具有规范中描述的含义，具有RXR选择性视黄醇激动剂样活性。
• 新的化合物和有机发光装置
  申请人：乐金显示有限公司

  公开号：CN111825558A

  公开（公告）日：2020-10-27

  公开了新的化合物和有机发光装置。所述新的化合物由以下化学式1表示，当所述新的化合物用作用于有机发光装置的空穴传输层的材料时，所述新的化合物允许装置具有降低的驱动电压、以及改善的效率和寿命特性。[化学式1]。