2,2,4,4,6,6-六(4-甲酰基苯氧基)-2,2,4,4,6,6-六氢-1,3,5,2,4,6-三氮杂三膦咛 | 77958-57-7

• 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: 2,2,4,4,6,6-六(4-甲酰基苯氧基)-2,2,4,4,6,6-六氢-1,3,5,2,4,6-三氮杂三膦咛
• 中文别名: 环三磷腈-PMMH-6聚合物
• 英文名称: hexakis(4-formylphenoxy)cyclotriphosphazene
• 英文别名: hexa(4-formylphenoxy)cyclotriphosphazene；HAPCP；hexakis(4-formlyphenoxy)cyclotriphosphazene；hexa(4-aldehydephenoxy)cyclotriphosphazene；Cyclotriphosphazene-pmmh-6 dendrimer generation 0.5；4-[[2,4,4,6,6-pentakis(4-formylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzaldehyde
• CAS: 77958-57-7
• 化学式: C₄₂H₃₀N₃O₁₂P₃
• 分子量: 861.634
• InChiKey: IUQFLKMWSWBJHE-UHFFFAOYSA-N

物化性质

• 熔点：
  157.2-159.5 °C

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  60
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  195
• 氢给体数：
  0
• 氢受体数：
  15

安全信息

• 安全说明：
  S24/25
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Name:	Cyclotriphosphazene-PMMH-6 Dendrimer Generation 0.5 Material Safety Data Sheet
Synonym:	None Known
CAS:	77958-57-7

Section 1 - Chemical Product MSDS Name:Cyclotriphosphazene-PMMH-6 Dendrimer Generation 0.5 Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
77958-57-7	Cyclotriphosphazene-PMMH-6 Dendrimer,	100	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 77958-57-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 157.2 - 159.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C42H30N3O12P3
Molecular Weight: 861.63

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Will not occur.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 77958-57-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Cyclotriphosphazene-PMMH-6 Dendrimer, Generation 0.5 - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 77958-57-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77958-57-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77958-57-7 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,2,4,4,6,6-六(4-甲酰基苯氧基)-2,2,4,4,6,6-六氢-1,3,5,2,4,6-三氮杂三膦咛 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以97%的产率得到1,1,3,3,5,5-hexakis(4-(hydroxymethyl)phenoxy)cyclotriphosphazene
  参考文献：
  名称：

  [n]假轮烷中的自由基阳离子二聚化不堪重负

  摘要：

  葫芦[7] uril（CB7）抑制紫精自由基阳离子二聚化是一个众所周知的现象。在此，提出了两个反例。通过1 H DOSY NMR光谱法，UV / Vis吸收分光光度法，方波伏安法和计时库仑法设计，合成并彻底表征了两个含紫罗兰色的线分子：BV 4+，其中包含两个紫罗兰基亚基，HV 12+，其中包含六个。在两个螺纹中，紫精亚基共价键合至六价磷腈核心。与CB7络合形成的相应[3]-和[7]假轮烷，即BV 4+ ⊂（还分析了CB 7）2和HV 12+ ⊂（CB 7）6。两个单体控制线程，属性，即，甲基紫精（MV 2+）和苄基甲基紫精（BMV 2+），以及与他们的[2]准轮烷络合物CB7（MV 2+ ⊂ CB7和BMV 2+ ⊂ CB7）也进行了调查。不出所料，对照假轮烷在它们的紫罗兰色识别位点经过一电子还原后仍保持完好无损。相反，BV 4+ ⊂（CB 7）2和HV 12+ ⊂（CB 7）6分别导致主宾分离和释放自由线程BV

  DOI：

  10.1002/chem.201400069
• 作为产物：
  描述：

  对羟基苯甲醛 在 六氯环三磷腈 作用下， 生成 2,2,4,4,6,6-六(4-甲酰基苯氧基)-2,2,4,4,6,6-六氢-1,3,5,2,4,6-三氮杂三膦咛
  参考文献：
  名称：

  磷树枝状聚合物表面上对称和不对称地结合活性生物单体

  摘要：

  含磷的树枝状大分子由于其非常特殊的结构，球形形状以及化学和物理性质，是用于递送生物活性分子的有吸引力的载体。在本文中，我们报告了一种通过负载P（S）Cl 2端基的氯原子进行亲核取代而对称接枝乙炔酸类似物的乙炔酸衍生物负载的磷树枝状大分子的简单合成方法。我们也首次报道了通过选择性取代P（S）Cl 2端基一个氯，然后接枝第二种酚的两种不对称酚衍生物的不对称接枝。

  DOI：

  10.1016/j.tet.2017.01.044

文献信息

• Synthesis and characterization of room temperature columnar mesogens of cyclotriphosphazene with Schiff base units
  作者：Qingye He、Heng Dai、Xiaoping Tan、Xiaohong Cheng、Feng Liu、Carsten Tschierske

  DOI：10.1039/c3tc31371a

  日期：——

  New supermolecular liquid crystals have been synthesized by attaching polycatenar aromatic units with three terminal alkyl chains through imine linking groups to a central cyclotriphosphazene ring, and these were investigated by polarizing microscopy, DSC and XRD. Compounds with several different linear terminal alkyl chains can form liquid crystals with columnar phases, and most of these are room

  通过亚胺连接基团将具有三个末端烷基链的聚芳基芳香族单元连接到中央环三磷腈环上，已经合成了新的超分子液晶，并通过偏光显微镜，DSC和XRD对其进行了研究。具有几个不同的线性末端烷基链的化合物可以形成具有柱状相的液晶，并且大多数是室温柱状相。提出了一种用于在柱中组织分子的模型，该模型基于芳族核和烷基链的纳米分离以及在柱中星形分子的交错组织。外围烷基链的分支导致无定形材料。
• Hexa-arm star shaped hydrazone derivatives from hexakis(4-formylphenoxy)-cyclotriphosphazene core
  作者：Basavaraj R. Patil、Shrinath S. Machakanur、Dayananda S. Badiger、Rekha S. Hunoor、Kalagouda B. Gudasi、Munirathinam Nethaji、S.W. Annie Bligh

  DOI：10.1016/j.molstruc.2011.07.020

  日期：2011.9

  series of novel hexasubstituted cyclophosphazene hydrazones [N3P3( OC6H4 p CH N NH C(O) C6H4 p X)6] (X = H, Br, Cl, F, OH, OCH3, CH3, NO2, NH2) were prepared by a sixfold condensation reaction of [N3P3( OC6H4 p CHO)6] with para-substituted benzoic hydrazides [NH2 NH C(O) C6H4 p X] with excellent yields (91–98%). The structures of the compounds were confirmed by elemental analysis, FT-IR, 1H, 13C, 31P

  摘要 通过以下方法制备了一系列新型六取代环磷腈腙[N3P3(OC6H4 p CH N NH C(O) C6H4 p X)6] (X = H, Br, Cl, F, OH, OCH3, CH3, NO2, NH2) [N3P3(OC6H4 p CHO)6] 与对位取代的苯甲酰肼 [NH2 NH C(O) C6H4 p X] 的六重缩合反应，产率极好 (91–98%)。化合物的结构经元素分析、FT-IR、1H、13C、31P、2D-HSQC NMR和质谱(MALDI-TOF)确证。所有合成的环磷腈腙都表现出很高的热稳定性。通过 X 射线衍射分析确定了均匀取代的六 (4-甲酰基苯氧基)-环三磷腈的晶体结构。该化合物在单斜晶系中结晶，空间群 P21/n，a = 16.558(3) A, b = 10.250(2) A, c = 23.429(5) A, α = γ = 90.00°, β = 90
• Synthesis of fluorescence organocyclotriphosphazene derivatives having functional groups such as formyl, Schiff base and both formyl and Schiff base without using Ar or N 2 atmosphere
  作者：Fatih Aslan、Ali İhsan Öztürk、Bayram Söylemez

  DOI：10.1016/j.molstruc.2017.01.047

  日期：2017.6

  which were previously synthesized in boiling solvent under N 2 atmosphere, were produced again at room conditions without using Ar or N 2 atmosphere by the same method. We detected that both 2 and 3 formed with very high yields even under this mild conditions. After that, 1 equiv of the compounds ( 2 and 3 ) were reacted with 12 equiv of some anilines derivatives with different substituted groups

  摘要 在本研究中，六（4-甲酰基-苯氧基）环三磷腈（ 2 ）和六（4-甲酰基-2-甲氧基-苯氧基）环三磷腈（ 3 ）是在 N 2 气氛下在沸腾溶剂中合成的。在不使用 Ar 或 N 2 气氛的室温条件下通过相同的方法再次进行。我们检测到即使在这种温和的条件下，2 和 3 也以非常高的产量形成。之后，将1当量的化合物（2和3）与12当量的一些具有不同取代基的苯胺衍生物反应，如羟基、氰基、巯基、杂环、羧基、氯，以合成新的有机环三磷腈衍生物，其中包含六个非共轭席夫碱基团。然而，此类化合物并非由所有选定的苯胺衍生物形成。化合物（2和3）与4-羧基-苯胺和4-氰基-苯胺的反应导致形成带有甲酰基和席夫碱单元的有机环三磷腈。使用FT-IR、 1 H NMR和31 P NMR确定合成分子的结构。然后，在溶液状态下通过紫外吸收和荧光发射光谱对合成的化合物进行光物理研究。光物理研究表明，化合物 1 和所有获得的
• Use of Dendrimers to Stimulate Cell Growth
  申请人：Majoral Jean-Pierre

  公开号：US20090142316A1

  公开（公告）日：2009-06-04

  The present invention relates to the use of dendrimers with monophosphonic or bisphosphonic terminations in order to stimulate the growth of cell cultures or to activate cells in culture.

  本发明涉及在细胞培养中使用具有单磷酸或双磷酸端基的树枝状聚合物，以促进细胞培养的生长或激活细胞。
• A NOVEL SYNTHESIS OF HEXASUBSTITUTED CYCLOTRIPHOSPHAZENES
  作者：Chengfeng Ye、Zefu Zhang、Weimin Liu

  DOI：10.1081/scc-120002003

  日期：2002.1

  ABSTRACT Hexaaryloxyphosphazenes [N3P3(O-C6H4-R)6] (R=H, CH3, OCH3, C(CH3)3, CHO, COCH3, COOR, C6H5, NO2, F, etc) were readily obtained with ca 70% isolated yield in refluxing acetonitrile in the presence of anhydrous potassium phosphate. All compounds were characterized by means of elemental analysis, 1H-NMR, 31P-NMR spectroscopy.

  摘要六芳氧基磷腈 [N3P3(O-C6H4-R)6]（R=H、CH3、OCH3、C(CH3)3、CHO、COCH3、COOR、C6H5、NO2、F 等）很容易获得，分离度约为 70%在无水磷酸钾存在下回流乙腈的产率。所有化合物均通过元素分析、1H-NMR、31P-NMR光谱表征。