4,6-双（二苯基膦基）二苯并呋喃 | 133850-81-4

• 物质功能分类: 有机原料 - 杂环化合物
• 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: 4,6-双（二苯基膦基）二苯并呋喃
• 中文别名: 4,6-双(二苯基膦基)二苯并呋喃
• 英文名称: 4,6-bis(diphenylphosphanyl)dibenzofuran
• 英文别名: 1,8-bis(diphenylphosphino)dibenzofuran；4,6-Bis(diphenylphosphino)dibenzofuran；4,6-bis(diphenylphosphine)dibenzofuran；4,6-bis(diphenylphosphino)benzofuran；4,6-bis(diphenylphosphino)dbf；4,6-(PPh2)2dibenzofuran；(6-diphenylphosphanyldibenzofuran-4-yl)-diphenylphosphane
• CAS: 133850-81-4
• 化学式: C₃₆H₂₆OP₂
• 分子量: 536.549
• InChiKey: VAVXLUZIWOAKCD-UHFFFAOYSA-N

物化性质

• 熔点：
  212 °C(Solv: dichloromethane (75-09-2); ethanol (64-17-5))
• 沸点：
  648.7±35.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  No
• 危险性防范说明：
  P261,P305+P351+P338,P273,P501
• 危险性描述：
  H302,H315,H319,H335,H413

SDS

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Section 1: Product Identification
Chemical Name: 4,6-Bis(diphenylphosphino)dibenzofuran, 98% DBFphos
CAS Registry Number: 133850-81-4
Formula: C36H26OP2
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 133850-81-4 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation, skin
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. May be harmful by inhalation
Ingestion: No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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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 water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
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.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
Spill and Leak Procedures:
swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep in a cool, dry, well-ventilated area.

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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 clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: white pwdr
Molecular Weight: 536.54
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: no data
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, phosphorus oxides and organic fumes.

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

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SECTION 12: Ecological Information
Ecological Information: No information available

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

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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

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Not reportable under SARA 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4,6-双（二苯基膦基）二苯并呋喃 在 2,4-二硝基苯基羟胺 、 三甲基氯硅烷 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以82%的产率得到
  参考文献：
  名称：

  由三角 Tris(Phosphinimide) 配体支持的高自旋钴配合物

  摘要：

  末端的 π 碱性部分在不寻常或反应性无机物质的稳定中占据突出地位。磷酰亚胺 (PN) 的电子释放、π 基本性质已被用于稳定缺电子的早期过渡金属和镧系元素。原则上，由末端 PN 基团组成的配体场应该能够获得后第一行过渡金属的高价态。在此，我们报告了一类新的多齿膦酰亚胺配体，以从逻辑上探索这一假设。通过用于刚性的、空间阻碍的、多齿膦的亲电胺化的新程序，使得获得此类配体成为可能。如三核 Co II 3的合成所示，此类框架促进了末端 PN 与钴的配位络合物和同质的三配位 Co III络合物。有趣的是，Co III复合物表现出极其罕见的S = 2 基态。结合 XRD、磁化率和 DFT 研究强调，末端结合的 PNs 参与强 dπ-pπ 相互作用，呈现出适合稳定晚期过渡金属的高自旋态的弱配体场。

  DOI：

  10.1021/acs.inorgchem.1c01400
• 作为产物：
  描述：

  二苯并呋喃 、 二苯基氯化膦 在 四甲基乙二胺 、 叔丁基锂 作用下， 以 正庚烷 、 正戊烷 为溶剂， 反应 22.0h， 以44%的产率得到4,6-双（二苯基膦基）二苯并呋喃
  参考文献：
  名称：

  Synthesis of Sterically Demanding Bis(phosphinimine) Dibenzofuran Ligands and Subsequent Zinc Metalation

  摘要：

  鉴于之前使用双（膦酰亚胺）二苯并呋喃配体进行锌介导的内酯聚合所取得的成功，我们制备了一系列立体要求较高的 P=N 钳形化合物，并在 P 位和 N 位上进行了重要的立体和电子修饰（L，3a-d）。这些系统具有很高的结晶性，并通过多核核磁共振光谱、元素分析和 X 射线衍射进行了广泛的表征。这些配体可通过与布鲁克哈特酸反应转化为其质子化类似物 [HL][BArF4]（4a-d，[BArF4] = [B(m-(CF3)2-C6H3)4]），随后在环境温度下通过与 [ZnEt2] 的烷消去反应配位到锌，得到相应的 [LZnEt][BArF4] 阳离子配合物 5a-d。此外，我们还分离出了一种不常见的氯代锌[LZnCl][BArF4]（5c′），并对其进行了结构表征，从而将其与以前建立的具有类似几何结构的配体组进行了比较。

  DOI：

  10.1071/ch14577
• 作为试剂：
  描述：

  2-吡啶乙酸乙酯 、 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 4,6-双（二苯基膦基）二苯并呋喃 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以47%的产率得到ethyl 3-(4-fluorobenzyl)-2-phenylindolizine-1-carboxylate
  参考文献：
  名称：

  钯催化的碳酸炔丙酯和 2-(吡啶-2-基)乙酸乙酯衍生物的区域选择性偶联：轻松获得 C-3 苄基化吲哚腙

  摘要：

  已经描述了钯催化的配体控制的仲炔碳酸酯和 2-(吡啶-2-基)乙酸乙酯衍生物的区域选择性偶联反应，从而首次以中等至良好的产率得到 C-3 苄基化吲哚腙。DBFphos 作为配体对于这种高区域选择性的环化反应至关重要，并且已经提出了一种合理的反应机制。

  DOI：

  10.1055/s-0037-1609552

文献信息

• Synthesis and Coordination Chemistry of Phosphine Oxide Decorated Dibenzofuran Platforms
  作者：Daniel Rosario-Amorin、Eileen N. Duesler、Robert T. Paine、Benjamin P. Hay、Lætitia H. Delmau、Sean D. Reilly、Andrew J. Gaunt、Brian L. Scott

  DOI：10.1021/ic300301d

  日期：2012.6.18

  A four-step synthesis for 4,6-bis(diphenylphosphinoylmethyl)dibenzofuran (4) from dibenzofuran and a two-step synthesis for 4,6-bis(diphenylphosphinoyl)dibenzofuran (5) are reported along with coordination chemistry of 4 with In(III), La(III), Pr(III), Nd(III), Er(III), and Pu(IV) and of 5 with Er(III). Crystal structure determinations for the ligands, 4·CH3OH and 5, the 1:1 complexes [In(4)(NO3)3]

  报道了由二苯并呋喃四步合成4,6-双（二苯基膦酰基甲基）二苯并呋喃（4）和两步合成4,6-双（二苯基膦酰基）二苯并呋喃（5）以及4与In（）的配位化学。III），La（III），Pr（III），Nd（III），Er（III）和Pu（IV），以及5个带有Er（III）的化合物。配体4 ·CH 3 OH和5、1：1配合物[In（4）（NO 3）3 ]，[Pr（4）（NO 3）3（CH 3 CN）]·0.5的晶体结构测定CH 3 CN，[Er（4）（NO 3）3（CH 3 CN）]·CH 3 CN，[Pu（4）Cl 4 ]·THF和2：1络合物[Nd（4）2（NO 3）2 ] 2（NO 3）描述了2 ·（H 2 O）·4（CH 3 OH）。在这些络合物中，配体4通过两个氧化膦O原子以双齿POP'O'模式配位。二苯并呋喃环的O原子指向中心金属阳离子，但在每种情况下，都比金属高4Å。在5和5之间形成
• CATALYSTS FOR THE POLYMERIZATION OF CYCLIC ESTERS
  申请人：Hayes Paul G.

  公开号：US20100130753A1

  公开（公告）日：2010-05-27

  The present disclosure relates to cationic divalent metal catalysts useful for the polymerization of cyclic esters, methods for their preparation and uses thereof.

  本公开涉及用于环酯聚合的阳离子二价金属催化剂，其制备方法及用途。
• LUMINESCENT SILVER COMPLEXES
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2360162A1

  公开（公告）日：2011-08-24

  An luminescent device material which is inexpensive and exhibits excellent durability in the presence of oxygen can be provided using a luminescent silver complex which has an organic multidentate ligand, particularly, a luminescent silver complex wherein the organic multidentate ligand is coordinated to a phosphorus atom, a nitrogen atom, an oxygen atom, a sulfur atom, an arsenic atom, an oxygen anion, a nitrogen anion, or a sulfur anion, or a polymer of the luminescent silver complex.

  可以使用含有有机多齿配体的发光银配合物来提供一种在氧气存在的情况下具有极好耐久性且价格低廉的发光器件材料，特别是一种含有有机多齿配体的发光银配合物，其中有机多齿配体与磷原子、氮原子、氧原子、硫原子、砷原子、氧负离子、氮负离子或硫负离子配位，或者是该发光银配合物的聚合物。
• Cationic zinc complexes: a new class of catalyst for living lactide polymerization at ambient temperature
  作者：Craig A. Wheaton、Paul G. Hayes

  DOI：10.1039/c0cc03463k

  日期：——

  Cationic zinc complexes of a bis(phosphinimine) pincer ligand have been prepared. Methylzinc and zinc–lactate complexes have been structurally characterized, and the latter is the first cationic metal complex to promote coordination–insertion polymerization of lactide at ambient temperature. This novel catalyst system is remarkably active and also exhibits living character. A detailed investigation of the kinetics and mechanism of the polymerization process has been undertaken.

  双(亚磷酰亚胺)钳形配体的阳离子锌配合物已经制备出来。甲基锌和锌-乳酸配合物已通过结构表征，后者是在室温下促进乳酸酯的配位-插入聚合反应的首例阳离子金属配合物。这种新型催化体系表现出非凡的活性，并展现出活性特征。对聚合过程的动力学和机理进行了详细的探究。
• Unsymmetrical Dirhenium Complexes That Contain [Re₂]⁶⁺ and [Re₂]⁵⁺ Cores Complexed by Tridentate Ligands with P₂O and P₂N Donor Sets
  作者：Shan-Ming Kuang、Phillip E. Fanwick、Richard A. Walton

  DOI：10.1021/ic010983g

  日期：2002.1.1

  in the case of 3, while 4 contains monodentate P-bound L(2) both complexes contain Re---Re bonds. The synthon cis-Re(2)(mu-O(2)CCH(3))(2)Cl(4)(H(2)O)(2) reacts with ligands L(1), L(2), 2,6-bis(diphenylphosphinomethyl)pyridine (L(3)), bis[2-(diphenylphosphino)ethyl]amine (L(4)), and N,N-bis[2-(diphenylphosphino)ethyl]trimethylacetamide (L(5)) to give the paramagnetic complexes Re(2)(mu-O(2)CCH(3))Cl(4)(eta(3)-L(n))

  四重结合的dirhenium（III）配合物（n-Bu（4）N）（2）Re（2）Cl（8）与三齿配体反应，该配体包含基本上为平面的P，O，P供体，可提供配合物Re（2 ）Cl（6）（eta（3）-L（1））（3）（L（1）=双[2-（二苯基膦基）苯基]醚）和（n-Bu（4）N）[Re（2 ）Cl（7）（eta（1）-L（2））]（4）（L（2）= 4,6-双（二苯基膦基）二苯并呋喃）。光谱和电化学数据支持非对称结构Cl（4）ReReCl（2）（eta（3）-L（1））在3的情况下，而4包含单齿P结合的L（2）两种配合物均包含Re-- -重新债券。合成子顺式（2）（mu-O（2）CCH（3））（2）Cl（4）（H（2）O）（2）与配体L（1），L（2）反应， 2,6-双（二苯基膦基甲基）吡啶（L（3）），双[2-（二苯基膦基乙基）乙基]胺（L（4））和N，N-双[2-（二苯基膦基）乙基]三甲