三(2,4,6-三甲氧基苯基)磷 | 91608-15-0

• 物质功能分类: 有机原料 - 有机膦化合物
• 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: 三(2,4,6-三甲氧基苯基)磷
• 中文别名: 三(2,4,6-三甲氧苯基)膦；三(2,4,6-三甲基苯基膦
• 英文名称: tris(2,4,6-trimethoxyphenyl)phosphine
• 英文别名: tris(2,4,6-trimethoxyphenyl)phosphane；TTMPP
• CAS: 91608-15-0
• 化学式: C₂₇H₃₃O₉P
• 分子量: 532.527
• InChiKey: JQKHNBQZGUKYPX-UHFFFAOYSA-N

物化性质

• 熔点：
  155-160 °C(lit.)
• 沸点：
  645.5±55.0 °C(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 稳定性/保质期：
  按规定使用和贮存的情况下不会分解，避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319
• 储存条件：
  请将药品存放在密闭、阴凉、干燥的地方。

SDS

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Section 1: Product Identification
Chemical Name: Tris(2,4,6-trimethoxyphenyl)phosphine, min. 97%
CAS Registry Number: 91608-15-0
Formula: [(CH3O)3C6H2]3P
EINECS Number: none
Chemical Family: organophosphorus ligand
Synonym: None

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 91608-15-0 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes
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 available on the physiological effects of ingestion.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available on the long-terms effects of exposure.
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: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If this material 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 toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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

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SECTION 7: Handling and Storage
Store in a tightly sealed container. Keep away from heat and direct sunlight. Prolonged exposure to air may
Handling and Storage:
lead to the degradation of the product.

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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: Material may form a fine dust. If possible, 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: Material may form a fine dust. If possible, 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: light yellow pwdr.
Molecular Weight: 532.54
Melting Point: 155-160°
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: Insoluble

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SECTION 10: Stability and Reactivity
Stability: air sensitive solid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: prolonged contact with air
Incompatibility: Oxidizing agents and halogens
Decomposition Products: carbon dioxide, carbon monoxide, phosphorus pentoxide, and organic fumes.

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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

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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): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：强碱性芳基膦。

反应信息

• 作为反应物：
  描述：

  三(2,4,6-三甲氧基苯基)磷 在 高氯酸铵 作用下， 以 乙醇 为溶剂， 以88%的产率得到三(2,4,6-三甲氧基苯基)膦高氯酸盐
  参考文献：
  名称：

  高碱性三苯膦[2,4,6-（MeO）3 C 6 H 2 ] 3 P

  摘要：

  发现三（2,4,6-三甲氧基苯基）膦是高度碱性的（p K a，11.2）。

  DOI：

  10.1039/c39840000482
• 作为产物：
  描述：

  1-锂-2,4,6-三甲氧基苯 在 亚磷酸三苯酯 作用下， 以 乙醚 为溶剂， 以70%的产率得到三(2,4,6-三甲氧基苯基)磷
  参考文献：
  名称：

  高碱性三苯膦[2,4,6-（MeO）3 C 6 H 2 ] 3 P

  摘要：

  发现三（2,4,6-三甲氧基苯基）膦是高度碱性的（p K a，11.2）。

  DOI：

  10.1039/c39840000482
• 作为试剂：
  描述：

  对氯碘苯 、 丁烯酮 在 palladium diacetate 三(2,4,6-三甲氧基苯基)磷 、 1,8-双二甲氨基萘 、 nicotinamide adenine dinucleotide phosphate 作用下， 以 phosphate buffer 、 乙二醇甲醚 、 异丙醇 为溶剂， 反应 18.0h， 以79%的产率得到(S,E)-4-(4-chlorophenyl)but-3-en-2-ol
  参考文献：
  名称：

  Chiral (R)- and (S)-allylic alcohols via a one-pot chemoenzymatic synthesis

  摘要：

  Chiral (R)- and (S)-allylic alcohols with an enantiomeric excess exceeding 99% have been prepared in good to high overall isolated yields through a two-step one-pot chemoenzymatic process based on the palladium-catalyzed Heck reaction of aryl iodides with butenone followed by an enzymatic reduction of the resultant vinylic substitution products. Alcohol dehydrogenases from Lactobacillus brevis and Thermoanaerobacter species were used to attain (R)- and (S)-stereoselectivity, respectively. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.10.043

文献信息

• 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING
  申请人：UNIVERSITE DE STRASBOURG

  公开号：US20160145199A1

  公开（公告）日：2016-05-26

  The present invention relates to a process for labeling compounds comprising thiol moieties with 3-arylpropiolonitrile compounds, to 3-arylpropiolonitrile compounds substituted with tag moieties and to specific 3-arylpropiolonitrile linkers.

  本发明涉及一种将含硫醇基团的化合物用3-芳基丙炔腈化合物标记的方法，以及用标记基团取代的3-芳基丙炔腈化合物和特定的3-芳基丙炔腈连接剂。
• Novel carbapenem derivatives of quarternary salt type
  申请人：——

  公开号：US20030022881A1

  公开（公告）日：2003-01-30

  An objective of the present invention is to provide carbapenem derivatives which have potent antibiotic activity against MRSA, PRSP, Influenzavirus, and &bgr;-lactamase-producing bacteria and are stable against DHP-1. The compounds according to the present invention are compounds represented by formula (I) or pharmaceutically acceptable salts thereof: 1 wherein R 1 represents H or methyl; R 2 and R 3 each independently represent H, halogen, lower alkyl or the like; R 4 represents optionally substituted lower alkylthio or the like; and R 5 represents optionally substituted lower alkyl or the like.

  本发明的目的在于提供对MRSA、PRSP、流感病毒和β-内酰胺酶产生菌具有强大抗生素活性的碳青霉烯衍生物，且对DHP-1稳定。根据本发明的化合物是由公式(I)表示的化合物或其药物可接受的盐：1其中R1代表H或甲基；R2和R3各自独立地代表H、卤素、低级烷基等；R4代表可选地取代的低级烷基亚磺酰基等；R5代表可选地取代的低级烷基等。
• [EN] THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME<br/>[FR] COMPOSÉS TRICYCLIQUES À BASE DE THIOPÈNE ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT LESDITS COMPOSÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003084959A1

  公开（公告）日：2003-10-16

  Compounds having the formula (I), and pharmaceutically-acceptable salts, hydrates and prodrugs thereof, are useful as anti-inflammatory agents, in which R1, R2, and R3 are hydrogen, halogen, alkyl, or perfluoroalkyl; R4 is an optionally substituted alkyl or cycloalkyl group; X is a linker; A is an aryl, heteroaryl, heterocycle, cycloalkyl, or is absent; and R7 is a substituent on A as defined in the specification.

  具有公式(I)的化合物，以及其中所述化合物的药物可接受的盐、水合物和前药，作为抗炎剂是有用的，其中R1、R2和R3是氢、卤素、烷基或全氟烷基；R4是可选地取代的烷基或环烷基团；X是连接基；A是芳基、杂芳基、杂环、环烷基，或是缺失的；R7是如说明书中定义的A上的取代基。
• Novel carbapenum derivatives
  申请人：——

  公开号：US20030027809A1

  公开（公告）日：2003-02-06

  An objective of the present invention is to provide carbapenem derivatives which have potent antibiotic activity against MRSA, PRSP, Influenzavirus, and &bgr;-lactamase-producing bacteria and are stable against DHP-1. The compounds according to the present invention are compounds represented by formula (I) or pharmaceutically acceptable salts thereof: 1 wherein R 1 represents H or methyl; R 2 and R 3 represent H, a halogen atom, alkyl or the like; and R 4 represents substituted lower alkylthio or the like.

  本发明的目的在于提供对MRSA、PRSP、流感病毒和β-内酰胺酶产生菌具有强大抗菌活性的碳青霉烯衍生物，并且对DHP-1稳定。根据本发明的化合物是由公式(I)表示的化合物或其药物可接受的盐： 1 其中R 1 代表H或甲基；R 2 和R 3 代表H、卤素原子、烷基等；R 4 代表取代的下级烷基硫或类似物。
• The Trityl‐Cation Mediated Phosphine Oxides Reduction
  作者：Claire Laye、Jonathan Lusseau、Frédéric Robert、Yannick Landais

  DOI：10.1002/adsc.202100189

  日期：2021.6.21

  Reduction of phosphine oxides into the corresponding phosphines using PhSiH3 as a reducing agent and Ph3C+[B(C6F5)4]− as an initiator is described. The process is highly efficient, reducing a broad range of secondary and tertiary alkyl and arylphosphines, bearing various functional groups in generally good yields. The reaction is believed to proceed through the generation of a silyl cation, which reaction

  描述了使用PhSiH 3作为还原剂和Ph 3 C + [B(C 6 F 5 ) 4 ] -作为引发剂将氧化膦还原成相应的膦。该方法效率很高，可以减少各种带有各种官能团的仲和叔烷基和芳基膦，收率通常很高。据信，该反应通过生成甲硅烷基阳离子进行，该阳离子与氧化膦反应提供鏻盐，进一步被硅烷还原以提供所需的膦和硅氧烷。

表征谱图