10-丁基-2-氯-9(10H)-吖啶酮 | 128420-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 10-丁基-2-氯-9(10H)-吖啶酮
• 英文名称: 10-n-butyl-2-chloroacridin-9(10H)-one
• 英文别名: 10-Butyl-2-chloroacridin-9-one
• CAS: 128420-54-2
• 化学式: C₁₇H₁₆ClNO
• 分子量: 285.773
• InChiKey: VYMSWGOFSKMMCE-UHFFFAOYSA-N

物化性质

• 沸点：
  443.7±44.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 10-Butyl-2-chloro-9(10H)-acridone
Portland OR
Synonym Not available.
Chemical Formula C17H16ClNO
CAS Number Not available.

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
10-Butyl-2-chloro-9(10H)-acridone Not available. Min. 98.0 Not available. Not available.
(GC)

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum
of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
supportively.
Skin Contact After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the
irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated
clothing before reusing.
Inhalation If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flammable Limits
Flash Points Not available.
Not available.
Combustion Products These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), halogenated compounds.
WARNING: TOXIC HCl gas produced as a result of combustion.
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Continued on Next Page
10-Butyl-2-chloro-9(10H)-acridone

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Section VI. Accidental Release Measures
Spill Cleanup In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a
Instructions shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
Handling and Storage Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container
and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. In case of insufficient ventilation,
Information
wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible. Treat
symptomatically and supportively. Avoid contact with skin and eyes.
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Physical state @ 20°C Crystalline powder. Solubility
Not available.
Not available.
Specific Gravity
Molecular Weight 285.77 Partition Coefficient
Not available.
Boiling Point Not available. Vapor Pressure Not available.
Melting Point 119°C (246.2°F) Vapor Density Not available.
Not available. Not available.
Refractive Index Volatility
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Routes of Exposure Eye contact. Ingestion. Inhalation. Skin contact.
Not available.
Toxicity Data
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
10-Butyl-2-chloro-9(10H)-acridone

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Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of this substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  10-丁基-2-氯-9(10H)-吖啶酮 在 2-二叔丁基膦-2′,4′,6′-三异丙基-3,6-二甲氧基-1,1′-联苯 、 C₄₄H₆₂NO₅PPdS 、 水 、 potassium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.0h， 以98%的产率得到10-n-butyl-2-hydroxyacridin-9(10H)-one
  参考文献：
  名称：

  Palladium-Catalyzed Hydroxylation of Aryl and Heteroaryl Halides Enabled by the Use of a Palladacycle Precatalyst

  摘要：

  A method for the hydroxylation of aryl and heteroaryl halides, promoted by a catalyst based on a biarylphosphine ligand tBuBrettPhos (1,5) and its corresponding palladium precatalyst (1), is described. The reactions allow the cross-coupling of both potassium and cesium hydroxides with (hetero)aryl halides to afford a variety of phenols and hydroxylated heteroarenes in high to excellent yield.

  DOI：

  10.1021/jo500662s

文献信息

• PHOTOSENSITIVE RESIN COMPOSITION, OXIME SULFONATE COMPOUND, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20130171415A1

  公开（公告）日：2013-07-04

  Disclosed is a photosensitive resin composition comprising: (Component A) an oxime sulfonate compound represented by Formula (1); (Component B) a resin comprising a constituent unit having an acid-decomposable group that is decomposed by an acid to form a carboxyl group or a phenolic hydroxy group; and (Component C) a solvent wherein in Formula (1) R 1 denotes an alkyl group, an aryl group, or a heteroaryl group, each R 2 independently denotes a hydrogen atom, an alkyl group, an aryl group, or a halogen atom, Ar 1 denotes an o-arylene group or an o-heteroarylene group, X denotes O or S, and n denotes 1 or 2, provided that of two or more R 2 s present in the compound, at least one denotes an alkyl group, an aryl group, or a halogen atom.

  揭示了一种光敏树脂组合物，包括：（组分A）由式（1）表示的肟磺酸盐化合物；（组分B）包括具有可被酸分解的基团的树脂，该基团通过酸分解形成羧基或酚羟基；和（组分C）溶剂 其中在式（1）中，R1表示烷基、芳基或杂芳基，每个R2独立地表示氢原子、烷基、芳基或卤素原子，Ar1表示邻芳撑基或邻杂芳撑基，X表示O或S，n表示1或2，前提是在化合物中存在两个或两个以上的R2时，至少有一个表示烷基、芳基或卤素原子。
• Mild and General Palladium-Catalyzed Synthesis of Methyl Aryl Ethers Enabled by the Use of a Palladacycle Precatalyst
  作者：Chi Wai Cheung、Stephen L. Buchwald

  DOI：10.1021/ol401796v

  日期：2013.8.2

  A general method for the Pd-catalyzed coupling of methanol with (hetero)aryl halides is described. The reactions proceed under mild conditions with a wide range of aryl and heteroaryl halides to give methyl aryl ethers in high yield.

  描述了甲醇与（杂）芳基卤化物的 Pd 催化偶联的一般方法。该反应在温和条件下进行，使用范围广泛的芳基和杂芳基卤化物，以高产率得到甲基芳基醚。
• Rational Ligand Design for the Arylation of Hindered Primary Amines Guided by Reaction Progress Kinetic Analysis
  作者：Paula Ruiz-Castillo、Donna G. Blackmond、Stephen L. Buchwald

  DOI：10.1021/ja512903g

  日期：2015.3.4

  We report the Pd-catalyzed arylation of very hindered α,α,α-trisubstituted primary amines. Kinetics-based mechanistic analysis and rational design have led to the development of two biarylphosphine ligands that allow the transformation to proceed with excellent efficiency. The process was effective in coupling a wide range of functionalized aryl and heteroaryl halides under mild conditions.

  我们报告了受阻非常大的 α,α,α-三取代伯胺的 Pd 催化芳基化。基于动力学的机械分析和合理设计导致了两种联芳基膦配体的开发，使转化能够以优异的效率进行。该方法在温和条件下有效地偶联了广泛的官能化芳基和杂芳基卤化物。
• POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：ISHIJI Youhei

  公开号：US20120045616A1

  公开（公告）日：2012-02-23

  A positive photosensitive resin composition including: a resin comprising a structural unit having an acid dissociative group and a structural unit having a functional group capable of forming a covalent bond by reacting with a carboxyl group or a phenolic hydroxyl group; and an acid generator represented by the following formula (I): wherein in formula (I), R 1 represents a hydrogen atom, an alkyl group, an alkenyl group, a cyano group, an aryl group or the like; R 2 represents an alkyl group or an aryl group; each of R 3 and R 4 independently represents a hydrogen atom, an alkyl group an aryl group or the like; and X represents —O—, —S—, —NH— or the like.

  一种正电感光树脂组合物，包括：一种树脂，其包含具有酸解离基的结构单元和能够通过与羧基或酚羟基反应形成共价键的功能基团的结构单元；以及由以下式子（I）表示的酸发生剂： 其中，在式（I）中，R1表示氢原子、烷基、烯基、氰基、芳基或类似物；R2表示烷基或芳基；R3和R4各自独立地表示氢原子、烷基、芳基或类似物；X表示—O—、—S—、—NH—或类似物。
• Mit Silikonen kompatible Photoinitiatoren und diese enthaltende lichtempfindliche Gemische
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0705865A1

  公开（公告）日：1996-04-10

  Es werden Verbindungen der allgemeinen Formel I         (SIL - X-)mIN     (I), worin SILein Rest der Formel Si(R¹)(R²)(R³) wobei R¹ein Alkyl-, Halogenalkyl- oder Alkoxyrest mit 1 bis 8 Kohlenstoffatomen, ein Alkenylrest, ein Alkenyloxy- oder Acyloxyrest mit 2 bis 8 Kohlenstoffatomen, ein Aryl- oder Aryloxyrest mit 6 bis 10 Kohlenstoffatomen, ein Dialkyl-, Diaryl- oder Alkylaryl-methylenaminooxyrest mit C₁-C₄-Alkyl- oder C₆-Arylgruppen ist und R² und R³gleiche oder verschiedene Reste der Bedeutung von R¹ oder X - IN sind XCnH2n, INder Rest einer als Photoinitiator bzw. Photosensibilisator wirksamen Verbindung mit mindestens einer an einem aromatischen Kern stehenden Carbonylgruppe, meine Zahl von 1 bis 4 und neine Zahl von 2 bis 12 bedeutet, oder der allgemeinen Formel II         SioOo-1 (-X-IN)pR⁴2o+2-p     (II) vorgeschlagen, worin R⁴ein Rest der Bedeutung von R¹ ist und mehrere R⁴ untereinander gleich oder verschieden sein können, oeine Zahl von 2 bis 20000 und peine Zahl von 1 bis o ist, und die Symbole X und IN die vorstehend angegebene Bedeutung haben, wobei die Gruppe X an ein zur Carbonylgruppe von IN orthoständiges aromatisches Kohlenstoffatom gebunden ist. Die Verbindungen werden durch Umsetzen einer Verbindung IN - H mit einer Verbindung SIL - X' oder einer Verbindung SioOo-1 (-X')pR⁴2o+2-p in Gegenwart einer Rutheniumverbindung hergestellt. Sie sind als radikalbildende Photoinitiatoren oder als Photosensibilisatoren in Silikonen enthaltenden photopolymerisierbaren Gemischen, insbesondere für die Herstellung wasserlos druckender Flachdruckplatten, geeignet.

  通式 I 的化合物 (SIL - X-)mIN (I)、 其中 SIL 是式 Si(R¹)(R²)(R³)的基团 其中 R¹ 是具有 1 至 8 个碳原子的烷基、卤代烷基或烷氧基，烯基，具有 2 至 8 个碳原子的烯氧基或酰氧基，具有 6 至 10 个碳原子的芳基或芳氧基，具有 C₁-C₄-烷基或 C₆-芳基的二烷基、二芳基或烷基芳基-亚甲基氨基氧基，以及 R²和R³为R¹或X - IN所定义的相同或不同基团 XCnH2n、 IN 是作为光引发剂或光敏剂的化合物的基团，在芳香核上至少有一个羰基、 误为 1 至 4 的数字，以及 n 是 2 至 12 之间的数字、 或通式 II SioOo-1 (-X-IN)pR⁴2o+2-p (II) 建议采用，其中 R⁴ 是 R¹ 的余数，多个 R⁴ 可以相同，也可以不同、 o 是一个从 2 到 20000 的数字，而 p是从 1 到 o 的数字、 符号 X 和 IN 的含义如上、 其中基团 X 与 IN 的羰基正交的芳香碳原子键合。 这些化合物是通过化合物 IN - H 与化合物 SIL - X' 或化合物 SioOo-1 (-X')pR⁴2o+2-p 在钌化合物存在下反应制备的。它们适合用作自由基形成型光引发剂，或用作含有机硅的可光聚合混合物中的光敏剂，尤其适用于生产无水平版印刷板。

表征谱图