三叔丁基磷三氟甲磺酸酯 | 1106696-25-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 三叔丁基磷三氟甲磺酸酯
• 英文名称: tri-tert-butylphosphonium trifluoromethanesulfonate
• 英文别名: Tritert-butylphosphane;trifluoromethanesulfonic acid；tritert-butylphosphane;trifluoromethanesulfonic acid
• CAS: 1106696-25-6
• 化学式: CHF₃O₃S*C₁₂H₂₇P
• 分子量: 352.398
• InChiKey: IKAVINYLAQGRDD-UHFFFAOYSA-N

物化性质

• 熔点：
  175°C

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  6

SDS

---

Section 1: Product Identification
Chemical Name: Tri-t-butylphosphonium trifluoromethanesulfonate, 99% Stabiphos T
CAS Registry Number: 1106696-25-6
Formula: [(C4H9)3PH]+CF3SO3-
EINECS Number: none
Chemical Family: organophosphine salt
Synonym: Stabiphos T

---

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 1106696-25-6 100% 2.5 mg/m3 (as F) 2.5 mg/m3 (as F)

---

Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation
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. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
Chronic Health Affects: fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth
structure, kidney and liver damage.
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 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.

---

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.

---

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 tightly sealed container. Keep in a cool, dry, well-ventilated place.

---

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.

---

SECTION 9: Physical and Chemical Properties
Color and Form: white solid
Molecular Weight: 352.4
Melting Point: 175°
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: soluble

---

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, hydrogen fluoride, sulfur oxides and phosphorus oxides

---

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

---

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: Not listed in the TSCA inventory
SARA (Title 313): Title compound not listed
Second Ingredient: none

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  三叔丁基磷三氟甲磺酸酯 、 三甲基膦 反应 1.0h， 生成
  参考文献：
  名称：

  建立锑（V）阳离子的配位化学：系统评估Ph4Sb（OTf）和Ph3Sb（OTf）2作为路易斯受体

  摘要：

  研究了西硼烷Ph 4 Sb（OTf）（1 a，OTf = OSO 2 CF 3）和Ph 3 Sb（OTf）2（3）与路易斯碱的配位化学。Sb中心在1 a中具有显着的空间位阻，无法与大多数配体相互作用，但是4-甲基吡啶-N-氧化物（OPyrMe）和OPMe 3相对较低的空间需求使[Ph 4 Sb（OPyrMe）]得以表征。OTf]（2 a）和[Ph 4 Sb（OPMe 3）] [OTf]（2 b），受体的结构特征复杂的稀有例子。相反，发现3可以与多种Lewis碱结合，形成[Ph 3 Sb（donor）2 ] [OTf] 2 [donor = OPMe 3（6 a），OPCy 3（6 b， Cy = cyclohexyl），OPPh 3（6 c），OPyrMe（6 d）]，[Ph 3 Sb（dmap）2（OTf）] [OTf]（6 e，dmap = 4-（二甲基氨基）吡啶）和[Ph 3 Sb（供体）（OTf）]

  DOI：

  10.1002/chem.201406469
• 作为产物：
  描述：

  三叔丁基膦 、 三氟甲磺酸 以 乙醚 、 正戊烷 为溶剂， 反应 1.0h， 以74%的产率得到三叔丁基磷三氟甲磺酸酯
  参考文献：
  名称：

  Use of phosphonium salts in coupling reactions and process for their manufacture

  摘要：

  本发明的对象是磷铵盐在偶联反应中的使用，以及它们的制备方法。

  公开号：

  EP2019107A1
• 作为试剂：
  描述：

  4-甲氧基苯硼酸 、 对氯苯乙酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基磷三氟甲磺酸酯 potassium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 16.08h， 以38%的产率得到1-(4-甲氧基-联苯-4-基)-乙酮
  参考文献：
  名称：

  Use of phosphonium salts in coupling reactions and process for their manufacture

  摘要：

  本发明的对象是磷铵盐在偶联反应中的使用，以及它们的制备方法。

  公开号：

  EP2019107A1

文献信息

• [EN] METHOD FOR PRODUCING AMIDINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRODUCTION DE DÉRIVÉS D'AMIDINE
  申请人：BIOCRYST PHARM INC

  公开号：WO2016029216A2

  公开（公告）日：2016-02-25

  The invention provides methods and intermediates useful in the synthesis of a compound of formula (I): or a pharmaceutically acceptable salt, solvate, ester or prodrug thereof; wherein the variables are as defined herein.

  本发明提供了用于合成式(I)化合物的方法和中间体，或其药学上可接受的盐、溶剂和前药酯；其中变量如本文所定义。
• USE OF PHOSPHONIUM SALTS IN COUPLING REACTIONS AND PROCESS FOR THEIR MANUFACTURE
  申请人：Kromm Klemenz

  公开号：US20100197969A1

  公开（公告）日：2010-08-05

  The object of the present invention is the use of phosphonium salts in coupling reactions, and a method for their preparation.

  本发明的对象是在偶联反应中使用磷酸铵盐以及它们的制备方法。
• PROCESS FOR PRODUCING CYCLOOLEFIN ADDITION POLYMER
  申请人：JSR Corporation

  公开号：EP1657259A1

  公开（公告）日：2006-05-17

  A process for producing a cycloolefin addition polymer in which one or more cycloolefin monomers can be (co)polymerized by addition polymerization with a small palladium catalyst amount to produce a cycloolefin addition (co)polymer while attaining high catalytic activity. The process for cycloolefin addition polymer production is characterized by addition-polymerizing one or more cycloolefin monomers comprising a cycloolefin compound represented by a specific formula in the presence of a multi-component catalyst comprising (a) a palladium compound and (b) a specific phosphorus compound.

  一种环烯烃加成聚合物的生产工艺，在该工艺中，一种或多种环烯烃单体可在少量钯催化剂的作用下通过加成聚合反应进行（共）聚合，从而生产出环烯烃加成（共）聚合物，同时获得较高的催化活性。 环烯烃加成聚合物生产工艺的特点是，在由(a)钯化合物和(b)特定磷化合物组成的多组分催化剂存在下，加成聚合一种或多种环烯烃单体，这些单体包括由特定式表示的环烯烃化合物。
• Process for producing cycloolefin addition polymer
  申请人：Oshima Noboru

  公开号：US20060217505A1

  公开（公告）日：2006-09-28

  A process for producing a cycloolefin addition polymer in which one or more cycloolefin monomers can be (co)polymerized by addition polymerization with a small palladium catalyst amount to produce a cycloolefin addition (co)polymer while attaining high catalytic activity. The process for cycloolefin addition polymer production is characterized by addition-polymerizing one or more cycloolefin monomers comprising a cycloolefin compound represented by a specific formula in the presence of a multi-component catalyst comprising (a) a palladium compound and (b) a specific phosphorus compound.

  一种环烯烃加成聚合物的生产工艺，在该工艺中，一种或多种环烯烃单体可在少量钯催化剂的作用下通过加成聚合反应进行（共）聚合，从而生产出环烯烃加成（共）聚合物，同时获得较高的催化活性。环烯烃加成聚合物生产工艺的特点是，在由(a)钯化合物和(b)特定磷化合物组成的多组分催化剂存在下，加成聚合一种或多种环烯烃单体，这些单体包括由特定式表示的环烯烃化合物。
• Method For Producing Cyclic Olefin Addition Copolymer, Cyclic Olefin Addition Copolymer And Use Thereof
  申请人：Ohkita Kenzo

  公开号：US20080125556A1

  公开（公告）日：2008-05-29

  The present invention provides a method for producing a cyclic olefin addition copolymer wherein a monomer composition containing 5 to 80 mol % of a cyclic olefin having a substituent selected from alkyl groups, alkylsilyl group, and alkylsilylmethyl group represented by formula (1) below and 20 to 95 mol % of a cyclic olefin represented by formula (2) below is addition-copolymerized in the presence of a palladium-based multicomponent catalyst containing a specific palladium compound (i), a specific phosphorus compound (ii), and an ionic boron compound or an ionic aluminum compound (iii): (one of A 1 to A 4 is a C 4-5 alkyl group, trimethylsilyl group, or trimethylsilylmethyl group, and the others each independently are a hydrogen atom, halogen atom, or methyl group) (B 1 to B 4 are each independently a hydrogen atom, methyl group, or halogen atom.)