2-溴-6-正丁氧基萘 | 66217-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-溴-6-正丁氧基萘
• 中文别名: 2-溴-6-丁氧基萘
• 英文名称: 2-bromo-6-butoxynaphthalene
• 英文别名: (6-bromo-[2]naphthyl)-butyl ether；(6-Brom-[2]naphthyl)-butyl-aether；2-bromo-6-n-butoxy naphthalene
• CAS: 66217-20-7
• 化学式: C₁₄H₁₅BrO
• 分子量: 279.176
• InChiKey: LIQQRPRDWMYCPK-UHFFFAOYSA-N

物化性质

• 熔点：
  54.0-55.3 °C(Solv: methanol (67-56-1))
• 沸点：
  364.7±15.0 °C(Predicted)
• 密度：
  1.309±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Bromo-6-butoxynaphthalene
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
2-Bromo-6-butoxynaphthalene
Ingredient name:
CAS number: 66217-20-7

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.

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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.

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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.
Storage: Store in closed vessels.

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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.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C14H15BrO
Molecular weight: 279.2

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

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-溴-6-正丁氧基萘 在 哌啶 、 正丁基锂 作用下， 以 二氯甲烷 为溶剂， 反应 9.5h， 生成 ethyl (E)-3-(6-butoxynaphthalen-2-yl)-2-cyanoprop-2-enoate
  参考文献：
  名称：

  用于二阶非线性光学的新型手性双偶极 6,6'-二取代联萘酚衍生物：合成以及线性和非线性光学特性

  摘要：

  首次合成了许多基于具有不同受体/取代基的联萘酚 (BN) 系统的两种几何结构的热和光学稳定的双偶极手性分子，并报道了合成路线：光学纯 6,6' -二取代的 2,2'-二乙氧基-1,1'-联萘 {R, R'= -Br, -CHO, -CHC(CN)(COOEt), -CHC(CN)2, -CHCHCN, -CHCH(p -NO2Ph)} 和光学纯的 9,14-二取代二萘并[2,1-d:1',2'-f][1,3]dioxepins {R, R' = -Br, -CHO, -CH=C (CN)(COOEt)、-CHC(CN)2、-CHCHCN、-CHCHSO2CH3、-CHCHCHO、-CHCHCHC(CN)2}。所有分子都具有两个相等的供体-受体系统，它们连接在一起形成双偶极系统。制备了两个单偶极 6-取代 2-丁氧基萘 (R = -CHC(CN)2, -CHC(CN)(COOEt)) 供体-

  DOI：

  10.1021/ja960076o
• 作为产物：
  描述：

  正溴丁烷 、 6-溴-2-萘酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以56.6%的产率得到2-溴-6-正丁氧基萘
  参考文献：
  名称：

  2,6-二取代萘萘的合成与氟硅酮林

  摘要：

  2,6-二取代萘衍生物的合成及液晶性能

  DOI：

  10.1002/hlca.19850680533

文献信息

• Synthese und flüssigkristalline Eigenschaften 2,6-disubstituierter Naphthaline
  作者：Urs H. Lauk、Peter Skrabal、Heinrich Zollinger

  DOI：10.1002/hlca.19850680533

  日期：1985.8.14

  Synthesis and Liquid-Crystal Properties of 2,6-Disubstituted Naphthalene Derivatives

  2,6-二取代萘衍生物的合成及液晶性能
• Hydroxamic acid inhibitors of 5-lipoxygenase
  作者：James B. Summers、Hormoz Mazdiyasni、James H. Holms、James D. Ratajczyk、Richard D. Dyer、George W. Carter

  DOI：10.1021/jm00386a022

  日期：1987.3

  selection of more potent hydroxamic acid inhibitors, a simple hypothesis about the nature of enzyme-inhibitor binding was devised. In this hypothesis, the structures of compounds were matched to a proposed geometry of arachidonic acid when bound to the enzyme. Compounds that match best without extending into disfavored regions were predicted to be the best inhibitors. Three series of hydroxamates selected

  可以将异羟肟酸官能团掺入多种简单分子中，以产生有效的5-脂氧合酶抑制剂。作为一个例子，提出了一系列ω-苯基烷基和ω-萘基异羟肟酸的结构-活性关系。所描述的特征包括疏水性，芳基取代和异羟肟酸酯基团的修饰对酶抑制效能的影响。为了帮助选择更有效的异羟肟酸抑制剂，设计了一个关于酶抑制剂结合性质的简单假设。在该假设中，当与酶结合时，化合物的结构与花生四烯酸的拟议几何形状匹配。预测最匹配而不扩展到不利区域的化合物是最好的抑制剂。描述了根据该方法选择的三个系列的异羟肟酸酯。在这些系列中，有一些迄今为止报道的最有效的5-脂氧合酶抑制剂。
• [EN] INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF<br/>[FR] INHIBITEURS D'ONCOPROTÉINES YAP/TAZ-TEAD, LEUR SYNTHÈSE ET LEUR UTILISATION
  申请人：BRIDGENE BIOSCIENCES INC

  公开号：WO2022006548A1

  公开（公告）日：2022-01-06

  Disclosed herein are synthesis and use of covalent inhibitors selective for Transcriptional Enhancer Factor TEF-1 (TEAD1), which can be used for treatment of cancers such as glioblastoma, gastric cancer, colorectal cancer, pancreatic ductal adenocarcinoma (PDAC), and malignant pleural mesothelioma (MPM). Further disclosed herein are pharmaceutical compositions including the TEAD1 inhibitor and methods of treating cancers using the same.

  本文揭示了合成和使用针对转录增强因子TEF-1 (TEAD1)的共价抑制剂，可用于治疗胶质母细胞瘤、胃癌、结直肠癌、胰腺导管腺癌（PDAC）和恶性胸膜间皮瘤（MPM）等癌症。此外，本文还揭示了包括TEAD1抑制剂的药物组合物以及使用该药物组合物治疗癌症的方法。
• [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS<br/>[FR] MODULATEURS SÉLECTIFS DES RÉCEPTEURS DES OESTROGÈNES
  申请人：UNIV DALHOUSIE

  公开号：WO2012079154A1

  公开（公告）日：2012-06-21

  The invention provides compounds of Formula (I) : wherein R1 is hydrogen, OH, halo, -CN, -NO2, -N=0, -NHOQ2, -OQ2, -SOQ2, -SO2Q2, -SON(Q2)2, - SO2N(Q2)2, -N(Q2)2, -C(O)OQ2, -C(O)Q2, -C(O)N(Q2)2, -C(=NQ2)NQ2, -NQ2C(=NQ2)NQ2, - C(O)N(Q2)(OQ2), -N(Q2)C(O)-Q2, -N(Q2)C(O)N(Q2)2, -N(Q2)C(O)O-Q2, -N(Q2)SO2Q2, -N(Q2)SOQ2, aliphatic, alkoxy, cycloaliphatic, aryl, arylalkyl, heterocyclic, or heteroaryl ring, each aliphatic, alkoxy, cycloaliphatic, aryl, arylalkyl, heterocyclic, and heteroaryl ring optionally including 1-3 substituents independently selected Q3; R2 and R3 are each independently hydrogen, OH, oxo, aliphatic, cycloaliphatic, heterocycloaliphatic, aryl, or heteroaryl, optionally substituted with 1-3 of Q1 or Q2; X is a branched or straight C1-12 aliphatic chain wherein up to two carbon units are optionally and independently replaced by -C(Q1)2-, -C(Q2)2-, CHQ1, CHQ2-, -CO-, -CS-, -CONQ2, -CO2-, -OCO-, -NQ2-, -NQ2CO2-, - O-, -NQ2CONQ2-, -OCONQ2-, -NQ2CO-, -S-, -SO-, -SO2-, -SO2NQ2-, -NQ2SO2-, or -NQ2SO2NQ2-; G and G1 are each independently a branched or straight C1-2 aliphatic chain, or heterocycloalkyl, wherein up to two carbon units are optionally and independently replaced by -C(Q1)2-, -C(Q2)2-, CHQ1, CHQ2-, -CO-, - CS-, -CONQ2, -CO2-, -OCO-, -NQ2-, -NQ2CO2-, -O-, -NQ2CONQ2-, -OCONQ2-, -NQ2CO-, -S-, -SO-, - SO2-, -SO2NQ2-, -NQ2SO2-, or -NQ2SO2NQ2-, and pharmaceutically acceptable salts, solvates or prodaigs thereof, as well as methods of treating estrogen receptor mediated diseases and disorders using the compounds of Formula (I).

  该发明提供了Formula (I)的化合物：其中R1是氢、OH、卤素、-CN、-NO2、-N=0、-NHOQ2、-OQ2、-SOQ2、-SO2Q2、-SON(Q2)2、-SO2N(Q2)2、-N(Q2)2、-C(O)OQ2、-C(O)Q2、-C(O)N(Q2)2、-C(=NQ2)NQ2、-NQ2C(=NQ2)NQ2、-C(O)N(Q2)(OQ2)、-N(Q2)C(O)-Q2、-N(Q2)C(O)N(Q2)2、-N(Q2)C(O)O-Q2、-N(Q2)SO2Q2、-N(Q2)SOQ2、脂肪族、烷氧基、环脂肪族、芳基、芳基烷基、杂环、或杂芳基环，每个脂肪族、烷氧基、环脂肪族、芳基、芳基烷基、杂环和杂芳基环可选地包括1-3个独立选择的Q3取代基；R2和R3分别独立地是氢、OH、氧化物、脂肪族、环脂肪族、杂环脂肪族、芳基或杂芳基，可选地取代为1-3个Q1或Q2；X是分支或直链C1-12脂肪链，其中最多两个碳单位可选地和独立地被-C(Q1)2-、-C(Q2)2-、CHQ1、CHQ2-、-CO-、-CS-、-CONQ2、-CO2-、-OCO-、-NQ2-、-NQ2CO2-、-O-、-NQ2CONQ2-、-OCONQ2-、-NQ2CO-、-S-、-SO-、-SO2-、-SO2NQ2-、-NQ2SO2-或-NQ2SO2NQ2-取代；G和G1分别独立地是分支或直链C1-2脂肪链，或杂环脂肪族，其中最多两个碳单位可选地和独立地被-C(Q1)2-、-C(Q2)2-、CHQ1、CHQ2-、-CO-、-CS-、-CONQ2、-CO2-、-OCO-、-NQ2-、-NQ2CO2-、-O-、-NQ2CONQ2-、-OCONQ2-、-NQ2CO-、-S-、-SO-、-SO2-、-SO2NQ2-、-NQ2SO2-或-NQ2SO2NQ2-取代；以及药学上可接受的盐、溶剂或其制品，以及使用Formula (I)的化合物治疗雌激素受体介导的疾病和疾病的方法。
• [EN] SOLUTION PROCESSABLE ORGANIC SEMICONDUCTORS<br/>[FR] SEMI-CONDUCTEURS ORGANIQUES POUVANT ÊTRE TRAITÉS EN SOLUTION
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2009154877A1

  公开（公告）日：2009-12-23

  Semiconductor material, compositions containing the semiconductor material, semiconductor devices containing the semiconductor material, and methods of making semiconductor devices containing the semiconductor material are described. More specifically, the semiconductor material is a small molecule semiconductor that is an anthracene-based compound (i.e., anthracene derivative) that is substituted with two silylethynyl groups as well as two electron donating groups.

  本文描述了半导体材料、含有半导体材料的组合物、含有半导体材料的半导体器件以及制造含有半导体材料的半导体器件的方法。更具体地说，该半导体材料是一种小分子半导体，是一种基于蒽的化合物（即蒽衍生物），它被取代了两个硅基乙炔基团以及两个电子给体基团。