4-辛氧基苯硼酸 | 121554-09-4

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-辛氧基苯硼酸
• 中文别名: 4-正辛氧基苯硼酸；4-辛氧基苯基硼酸
• 英文名称: 4-(n-octyloxy)phenylboronic acid
• 英文别名: 4-octyloxyphenylboronic acid；4-octyloxybenzeneboronic acid；(4-octoxyphenyl)boronic acid
• CAS: 121554-09-4
• 化学式: C₁₄H₂₃BO₃
• 分子量: 250.146
• InChiKey: WABZSVITXOJJKH-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90℃
• 沸点：
  395.2±44.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2931900090
• 危险类别：
  IRRITANT
• 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
4-Octyloxyphenylboronic acid
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.
4-Octyloxyphenylboronic acid
Ingredient name:
CAS number: 121554-09-4

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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: C14H23BO3
Molecular weight: 250.1

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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.

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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：

  4-辛氧基苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙醇 、 甲苯 、 苯 为溶剂， 生成 1-辛氧基-4-(4-辛氧基苯基)苯
  参考文献：
  名称：

  Liquid crystalline behavior of tetraaryl derivatives of benzo[c]cinnoline, tetraazapyrene, phenanthrene, and pyrene: the effect of heteroatom and substitution pattern on phase stability

  摘要：

  一系列密切相关的四取代苯并[c]吡咯啉（1）、四烯氮（2）、菲（3）和芘（4）衍生物的介质性质通过热学、光学、光谱及粉末XRD分析进行了研究。只有三种3,4-二辛氧基苯衍生物表现出了介质特性。将N替换为CH（3→1和4→2对）以及核心元素尺寸的增加（1→2和3→4对）显著提高了相位稳定性。研究结果及观察到的趋势通过对构象特性的分析进行了合理化，包括平面化能量的计算，以及脂肪链密度和填充分数的建模。分子轨道计算显示，四氮衍生物2c显著缺电子，适合用于电子导电材料。

  DOI：

  10.1039/b615545f
• 作为产物：
  描述：

  在 盐酸 、 水 作用下， 生成 4-辛氧基苯硼酸
  参考文献：
  名称：

  供体-桥-受体结构的四苯基乙烯-二噻吩基乙烯-Per单酰亚胺三联体的光控分子内电荷/能量转移和荧光转换

  摘要：

  具有高热稳定性和耐疲劳性的光致变色1,2-二噻吩基乙烯（DTE）衍生物对于荧光的光学转换具有吸引力。在这里，我们介绍了一个供体-光致变色桥-受体四苯基乙烯-二噻吩基乙烯-mono单酰亚胺（TPE-DTE-PMI）三单元组，其中TPE充当电子给体，PMI充当电子受体，DTE充当光致变色桥。在该系统中，由于光在不同溶剂中引起的分子内电荷转移，已观察到具有各种斯托克斯位移的TPE-DTE-PMI的局部和分子内电荷转移发射。在紫外线照射下，已在溶液和固体薄膜中证明了由TPE-DTE-PMI中的光致变色荧光共振能量转移导致的荧光猝灭。

  DOI：

  10.1002/asia.201301071
• 作为试剂：
  描述：

  4-正辛氧基溴苯 、 正丁基锂 、 硼酸三异丙酯 在 盐酸 、 乙醚 、 水 、 magnesium sulfate 、 乙腈 、 4-辛氧基苯硼酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.42h， 以to provide a colorless solid, 4-octyloxy-phenylboronic acid (Compound 7, 20.5 g, 74%)的产率得到4-辛氧基苯硼酸
  参考文献：
  名称：

  P-alkoxyphenylen-thiophene oligomers as organic semiconductors for use in electronic devices

  摘要：

  本发明提供了表现出有用电子特性的苯-噻吩化合物，如高迁移率和高开/关比。本发明还提供了包含这些化合物的电子器件。这些器件包括场效应晶体管（FETs）、薄膜晶体管（TFTs）、显示器件、发光二极管、光伏电池、光电探测器和存储单元。此外，本发明还描述了一种制造这些场效应晶体管的方法。本发明描述了一种电子器件，其包括一个或多个由式（I）表示的化合物，其中R是选自具有1-20个碳原子的取代基的基团，所述基团被选自取代或未取代的烷基、取代或未取代的烯基和取代或未取代的炔基；n是选自2到6的整数；m和m'是独立选自1到3的整数。

  公开号：

  US07671083B2

文献信息

• 2-fluoropyrazines process for their preparation, and their use in
  申请人：Hoechst Aktiengesellschaft

  公开号：US05562859A1

  公开（公告）日：1996-10-08

  2-Fluoropyrazines, process for their preparation, and their use in liquid-crystalline mixtures A 2-fluoropyrazine of the formula (I) ##STR1## in which the symbols have the following meanings: R.sup.1 and R.sup.2, independently of one another, are, for example, H or straight-chain or branched alkyl, A.sup.1, A.sup.2, A.sup.3 and A.sup.4 are identical or different and are, for example, 1,4-phenylene or M.sup.1, M.sup.2, M.sup.3 and M.sup.4 are identical or different and are, for example, --0-- or --CO--O--, R.sup.3, R.sup.4, R.sup.6 and R.sup.7, independently of one another, are, for example, H or straight-chain or branched alkyl, M.sup.5 is, for example, --O--CO-- or a single bond, k, l, m, n, o, p, q and r are zero or one, with the condition that the sum of k+m+p+r is less than 4 and greater than zero, can advantageously be employed as a component in liquid-crystal mixtures.

  2-氟吡嗪的制备方法及其在液晶混合物中的应用 具有公式(I)的2-氟吡嗪 其中符号具有以下含义：R1和R2，彼此独立，例如，是H或直链或支链烷基，A1，A2，A3和A4相同或不同，例如，是1,4-苯基或M1，M2，M3和M4相同或不同，例如，是--O--或--CO--O--，R3，R4，R6和R7，彼此独立，例如，是H或直链或支链烷基，M5例如是--O--CO--或单一键，k，l，m，n，o，p，q和r是零或一，条件是k+m+p+r之和小於4且大於零，可用作液晶混合物的组分。
• [EN] INHIBITORS OF HUMAN ATGL<br/>[FR] INHIBITEURS DE L'ATGL HUMAIN
  申请人：KARL FRANZENS UNIV GRAZ

  公开号：WO2021019051A1

  公开（公告）日：2021-02-04

  The present invention relates to novel inhibitors of adipose triglyceride lipase (ATGL) having an improved inhibitory activity against human ATGL (hATGL) as well as pharmaceutical compositions comprising these inhibitors, and their therapeutic use, particularly in the treatment or prevention of a lipid metabolism disorder, including, e.g., obesity, non-alcoholic fatty liver disease, type 2 diabetes, insulin resistance, glucose intolerance, hypertriglyceridemia, metabolic syndrome, cardiac and skeletal muscle steatosis, congenital generalized lipodystrophy, familial partial lipodystrophy, acquired lipodystrophy syndrome, atherosclerosis, or heart failure.

  本发明涉及新型抑制脂肪甘油三酯脂肪酶（ATGL）的抑制剂，其对人类ATGL（hATGL）具有改善的抑制活性，以及包含这些抑制剂的药物组合物，及其治疗用途，特别是在治疗或预防脂质代谢紊乱方面的用途，包括例如肥胖、非酒精性脂肪肝病、2型糖尿病、胰岛素抵抗、葡萄糖不耐症、高甘油三酯血症、代谢综合征、心脏和骨骼肌脂肪变性、先天性全身性脂肪营养不良、家族性部分脂肪营养不良、获得性脂肪营养不良综合征、动脉粥样硬化或心力衰竭。
• Carbohydrate Rod Conjugates:  Ternary Rod−Coil Molecules Forming Complex Liquid Crystal Structures
  作者：Bin Chen、Ute Baumeister、Gerhard Pelzl、Malay Kumar Das、Xiangbing Zeng、Goran Ungar、Carsten Tschierske

  DOI：10.1021/ja0535357

  日期：2005.11.30

  self-organization as a function of the length and position of the lateral polar chain and the length of the terminal alkyl chains. Depending on the size of the polar and lipophilic segments, a series of unusual liquid crystalline phases was detected. In three of these phases, the space is divided into three distinct periodic subspaces. In addition to a hexagonal channeled layer phase (ChL(hex)) consisting of layers

  T 形多亲三嵌段分子，由棒状对三联苯单元、以 1-acylamino-1-deoxy-D-山梨糖醇单元封端的亲水且柔性的侧向连接的低聚（氧乙烯）链和两个末端连接的亲脂烷基组成链，已通过钯催化的交叉偶联反应合成为关键步骤。通过偏光显微镜、差示扫描量热法 (DSC) 和 X 射线散射研究了这些化合物的热致液晶行为。我们研究了自组织模式作为横向极性链的长度和位置以及末端烷基链的长度的函数。根据极性和亲脂性片段的大小，检测到一系列不寻常的液晶相。在这三个阶段中，空间被划分为三个不同的周期性子空间。除了由极性柱穿透的层组成的六边形通道层相（ChL（hex））外，还有由方形（Col（squ）/p4mm）或五边形圆柱体（Col（方）/p4gm）。圆柱壁由由烷基链柱稠合的三联苯单元组成，内部包含极性侧链。此外，观察到六方柱状相，其中极性柱在三联苯和烷基链的连续体中组织，三联苯核在柱周围切向组织，长轴垂直于
• [EN] PYRROLE DERIVATIVES AS ACC INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLE UTILISÉS EN TANT QU'INHIBITEURS D'ACC
  申请人：ALMIRALL SA

  公开号：WO2020245297A1

  公开（公告）日：2020-12-10

  Novel pyrrole derivatives of Formula (I) are disclosed; as well as processes for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Acetyl- CoA carboxylase (ACC).

  公式(I)的新吡咯衍生物被公开；以及它们的制备过程、包含它们的药物组合物以及它们作为乙酰辅酶A羧化酶(ACC)抑制剂的疗法应用。
• The use of a modified Suzuki reaction for the synthesis of monoarylferrocenes
  作者：Christopher Imrie、Christa Loubser、Pieter Engelbrecht、Cedric W. McCleland

  DOI：10.1039/a903058a

  日期：——

  deoxygenation of the solvent is critical. The use of stronger bases such as barium hydroxide and potassium carbonate is favourable and gives rise to better yields of monoarylferrocenes. The reactions also proceed efficiently in aqueous DMF, broadening the scope of the reaction allowing efficient reactions with boronic acids that show low solubility in organic solvents.

  铃木交叉偶联反应的修饰被证明是制备单取代的芳基二茂铁的一种干净且有用的方法。在碳酸钠和乙酸钯存在下，在室温下，在乙醇水溶液中，使碘二茂铁与一系列取代的芳基硼酸反应，生成一系列取代的单芳基二茂铁。为确定最佳反应条件而进行的系统研究表明，溶剂的严格脱氧至关重要。使用更强的碱，例如氢氧化钡和碳酸钾是有利的，并且可以产生更好的单芳基二茂铁收率。该反应还在水性DMF中有效地进行，拓宽了反应范围，从而允许与在有机溶剂中显示出低溶解度的硼酸进行有效反应。