乙酰丙酮化钠 - CAS号 15435-71-9

物化性质

熔点：

228-230°C
密度：

1.213 g/cm3

计算性质

辛醇/水分配系数(LogP)：

-2.63
重原子数：

8
可旋转键数：

2
环数：

0.0
sp3杂化的碳原子比例：

0.4
拓扑面积：

34.1
氢给体数：

0
氢受体数：

3

SDS

SDS：3c697dfe9a618b193bf7840fbe7dda0f

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Section 1: Product Identification
Chemical Name: Sodium acetylacetonate hydrate, min. 98%
CAS Registry Number: 15435-71-9
Formula: Na(CH3COCHCOCH3).XH2O
EINECS Number: none
Chemical Family: metal beta-diketonate complexes
Synonym: 2,4-pentanedionatosodium hydrate

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 15435-71-9 100% no data no data

Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, Inhalation of dust.
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information on the physiological effects of ingestion.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with soap and water. Remove contaminated clothes if necessary. Seek medical
Skin Exposure:
assistance if irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Ingestion: Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).

SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

SECTION 7: Handling and Storage
Handling and Storage: Store in a sealed container. Keep away from heat and moisture.

SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothes and gloves. Consult glove manufacturer to determine the proper type of glove.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

SECTION 9: Physical and Chemical Properties
Color and Form: off-white pwdr.
Molecular Weight: 122.09
Melting Point: 210° dec.
Boiling Point: no data
Vapor Pressure: not applicable
Specific Gravity: no data
Odor: none
Solubility in Water: Soluble

SECTION 10: Stability and Reactivity
Stability: air and moisture stable solid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: Oxidizing agents
Decomposition Products: Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.

SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

SECTION 12: Ecological Information
Ecological Information: No information available

SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

SECTION 15: Regulatory Information
TSCA: Listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

乙酰丙酮化钠是一种有机金属催化剂，主要应用于实验室中的有机合成研发过程。

反应信息

作为反应物：

描述：

乙酰丙酮化钠在 sodium azide 、三氟甲磺酸酐、碳酸氢钠作用下，以二氯甲烷、水为溶剂， 20.0 ℃ 、800.01 kPa 条件下，反应 24.0h，以64%的产率得到(2Z)-3-偶氮基-4-氧代-2-戊烯-2-醇

参考文献：

名称：

利用连续处理来挑战重氮转移和望远镜铜催化不对称转化

摘要：

在流动中生成和使用三氟甲基叠氮化物能够通过 Regitz 型重氮转移和脱酰/脱苯甲酰重氮转移有效合成一系列 α-重氮羰基化合物，包括 α-重氮酮、α-重氮酰胺和 α-重氮磺酰基酯除了解决与处理这种高反应性磺酰叠氮化物相关的危害之外，该工艺还具有出色的收率并提供所用溶剂的多功能性。使用高度对映选择性的铜介导的分子内芳烃加成和 C-H 插入过程伸缩三氟甲基叠氮化物的生成和重氮转移过程表明，可以以足够的纯度获得含有 α-重氮羰基化合物的反应流，以直接通过固定的铜双(恶唑啉)催化剂，而不会不利地影响催化剂的对映选择性。

DOI：

10.1021/acs.joc.1c01310
作为产物：

描述：

4-羟基戊-3-烯-2-酮在 sodium hydroxide 作用下，以乙醇、水为溶剂，反应 0.33h，生成乙酰丙酮化钠

参考文献：

名称：

一种新颖的钯（II）抗肿瘤剂：合成，表征，DFT透视，CT-DNA和BSA相互作用通过研究在体外和在计算机芯片接近

摘要：

由于每年都有很多人死于癌症，因此这一领域的研究至关重要。因此，一个新制备和水等钯（II）络合物的式[钯（苯）（acac）]的NO 3，其中苯是1,10-菲咯啉和乙酰丙酮，乙酰丙酮是配位体，已通过之间的反应[钯（合成phen）（H 2 O）2 ]（NO 3）2与乙酰丙酮钠盐的摩尔比为1：1。通过电导率测量，元素分析和光谱法（FT-IR，UV-Vis和11 H NMR）。在理论的DFT级别上对该复合物的几何结构优化表明，Pd（II）原子位于正方形平面的几何结构中。已经针对该复合物针对其显示出有效活性的K562癌细胞的抗肿瘤活性进行了筛选。通过多种技术研究了上述钯（II）配合物与CT-DNA作为抗肿瘤剂的靶分子以及BSA作为转运蛋白的相互作用。UV-Vis吸收和荧光发射的结果表明，Pd（II）络合物通过疏水键与EB + CT-DNA相互作用，并在很低的浓度下通过氢键和范德华力与BSA相互作用。在

DOI：

10.1016/j.saa.2020.119215
作为试剂：

描述：

正癸烯、在氘代苯、乙酰丙酮化钠、 sodium hydride 作用下，以 neat (no solvent) 为溶剂，生成

参考文献：

名称：

镍催化的未活化烯烃与未活化芳烃的抗 Markovnikov 氢化反应由非共价相互作用促进。

摘要：

向烯烃中添加反马尔科夫尼科夫一直是催化的长期目标，在烯烃中加入芳烃的反马尔科夫尼科夫添加会产生与酸催化过程形成的烷基芳烃不同的烷基芳烃。现有的氢芳基化反应要么是定向的，要么是以对 n-烷基芳烃的低反应性和低区域选择性发生的。在此，我们报道了未活化烯烃与未活化芳烃的首次无定向氢芳基化反应，该反应对抗 Markovnikov 产物具有高区域选择性。该反应与由高度空间位阻的 N-杂环卡宾连接的镍催化剂发生。已经表征了催化相关的芳烃和烯烃结合的镍配合物，并且限速步骤被证明是还原消除以形成 C-C 键。密度泛函理论计算与第二代绝对局域分子轨道能量分解分析相结合，表明含有大卡宾和小卡宾的催化剂之间的活性差异更多地是由于次级配位球中分子内非共价相互作用的稳定，而不是空间位阻。

DOI：

10.1038/s41557-019-0409-4

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文献信息

Reactivity of new precursors of quinone methides

作者：Bernard Loubinoux、Joseph Miazimbakana、Philippe Gerardin

DOI：10.1016/s0040-4039(00)99619-9

日期：1989.1

The azidomethylene protecting group allows the synthesis of unstable phenolic compounds which are used as quinone methide precursors in the alkylations of alcohols, phenols, azide, thiophenol, amines, enols and enolates.

叠氮基亚甲基保护基团允许合成不稳定的酚类化合物，在醇，酚，叠氮化物，硫酚，胺，烯醇和烯醇化物的烷基化中用作醌甲基化物前体。
Polyketo-enols and chelates. Part I. The formation and constitution of xanthophanic enol and the xanthyrones

作者：L. Crombie、D. E. Games、M. H. Knight

DOI：10.1039/j39670000757

日期：——

A new structure is proposed, on the basis of spectroscopic and chemical evidence, for the yellow compound diethyl xanthophanic enol formed when ethyl sodioacetoacetate and ethyl ethoxymethyleneacetoacetate are heated together. A mechanism of formation is outlined and supported. The new information is used to prepare various compounds of the xanthyrone class and two of these, 3,3′,3′,5-tetra-acetyl

根据光谱和化学证据，提出了一种新结构，该结构是将乙二乙酸乙酸乙酯和乙氧基亚甲基乙酰乙酸乙酯一起加热时形成的黄色化合物二乙基黄体烯醇。概述并支持了形成机制。新的信息可用于制备各种an吨酮类化合物，其中3,3'，3'，5-四乙酰基-6-丙烯基-α-吡喃酮和3'-乙酰基-3,3'中的两个5-三乙氧基羰基-6-丙烯基-α-吡喃酮使结构上的竞争者被打折。
金属錯体および該金属錯体を含む発光素子

申请人：住友化学株式会社

公开号：JP2017052709A

公开（公告）日：2017-03-16

【課題】演色性に優れる白色の発光色を実現できる三重項発光金属錯体の提供。【解決手段】式（１）で表される金属錯体。［ｎ１は１〜３の整数；ｎ２は０又は１；Ｒ１〜Ｒ１１は各々独立にＨ、アルキル基、アリール基、ヘテロアリール基等；Ｒ１とＲ２、Ｒ３とＲ４、Ｒ４とＲ５、Ｒ５とＲ６、Ｒ７とＲ８及びＲ１０とＲ１１は夫々結合するＣと一緒に環を形成しても良い；Ｒ４、Ｒ５の少なくとも１つは、Ｆ、Ｆを有するアルキル基等；Ｒ４、Ｒ８、Ｒ９、Ｒ１０から選ばれる少なくとも１つは特定の置換基を有する基；Ａ１−Ｇ１−Ａ２はアニオン性の２座配位子；Ａ１及びＡ２は各々独立にＣ、Ｏ、Ｎ］【選択図】なし

【课题】提供一种三重项发光金属错合物，能够实现具有良好显色性的白色发光颜色。【解决手段】式（1）所示的金属错合物。[n1是1到3的整数；n2是0或1；R1～R11各自独立为H、烷基、芳基、杂芳基等；R1和R2、R3和R4、R4和R5、R5和R6、R7和R8以及R10和R11可以分别与C一起形成环；至少一个是F、含F的烷基等；至少一个是特定取代基的基团；A1-G1-A2是二座配位子的亚离子性；A1和A2各自独立为C、O、N] 【选择图】无
Oxidative Mechanochemistry: Direct, Room-Temperature, Solvent-Free Conversion of Palladium and Gold Metals into Soluble Salts and Coordination Complexes

作者：Jean-Louis Do、Davin Tan、Tomislav Friščić

DOI：10.1002/anie.201712602

日期：2018.3.1

Noble metals are valued, critical elements whose chemical activation or recycling is challenging, and traditionally requires high temperatures, strong acids or bases, or aggressive complexation agents. By using elementary palladium and gold, demonstrated here is the use of mechanochemistry for noble‐metal activation and recycling by mild, clean, solvent‐free, and room‐temperature chemistry. The process

贵重金属是重要的关键元素，其化学活化或循环利用具有挑战性，并且传统上需要高温，强酸或强碱或侵蚀性络合剂。通过使用元素钯和金，此处证明了通过温和，清洁，无溶剂和室温化学作用将机械化学用于贵金属活化和回收。该过程可将包括废催化剂在内的金属直接，高效，一锅转换为简单的水溶性盐或金属有机催化剂。
Metal complexes in organic synthesis—V

作者：M. Moreno-Mañas、A. Trius

DOI：10.1016/s0040-4020(01)98915-x

日期：1981.1

Pentane-2,4-dione with allylic alcohols or benzyl alcohol with palladium catalysts gives high yields of C-monoalkylated diketones, arising mainly from reaction at the terminal end of the allyic system for alkyl monosubstituted allyl alcohols. The effect of the catalyst on the alcohols has been evaluated; rearrangements and disproportionations have been observed.

戊烷-2,4-二酮与烯丙醇的结合或苯甲醇与钯催化剂的结合，可得到高产的C-单烷基化二酮，主要是由于烷基单取代的烯丙醇在烯丙基体系末端的反应。已经评估了催化剂对醇类的影响。已经观察到重排和歧化。

乙酰丙酮化钠 | 15435-71-9

物质功能分类

分子结构分类

物化性质

计算性质

SDS

制备方法与用途

反应信息

文献信息

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