丙基三苯基溴化膦 | 15912-75-1

• 物质功能分类: 化学试剂 - 有机试剂 - 卤化磷
• 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: 丙基三苯基溴化膦
• 中文别名: 丙基三苯基膦；夫沙那韦钙；正丙基三苯基溴化鏻；丙基三苯基膦盐；三苯基丙基溴化鏻；丙基三苯基溴化鏻；丙基三苯基溴化
• 英文名称: N-propyl-triphenyl-phosphonium cation
• 英文别名: propyltriphenylphosphonium bromide；Triphenylpropylphosphonium；Triphenylpropylphosphonium-Kation；Propyl-triphenyl-phosphonium；Triphenyl-propyl-phosphonium；Propyltriphenylphosphonium；Triphenyl(propyl)phosphonium；triphenyl(propyl)phosphanium
• CAS: 15912-75-1
• 化学式: C₂₁H₂₂P
• 分子量: 305.379
• InChiKey: MSXNDXIAUQJHNS-UHFFFAOYSA-N

物化性质

• 熔点：
  235-238 °C(lit.)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  6.1(b)
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2931900090
• 危险品运输编号：
  2811
• 危险类别：
  6.1(b)
• 包装等级：
  III
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	(n-Propyl)triphenylphosphonium bromide 99% Material Safety Data Sheet
Synonym:	Triphenylpropylphosphonium bromide
CAS:	15912-75-1

Section 1 - Chemical Product MSDS Name:(n-Propyl)triphenylphosphonium bromide 99% Material Safety Data Sheet
Synonym:Triphenylpropylphosphonium bromide

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
15912-75-1	(n-Propyl)triphenylphosphonium bromide	99	240-056-5

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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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 appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 15912-75-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 235-239 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >245 deg C
Solubility in water: soluble
Specific Gravity/Density: Not available.
Molecular Formula: C21H22BrP
Molecular Weight: 385.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Dust generation, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide, phosphine.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15912-75-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(n-Propyl)triphenylphosphonium bromide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 15912-75-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15912-75-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15912-75-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

丙基三苯基膦是一种膦化合物，可作为高效的有机催化剂使用。

反应信息

• 作为反应物：
  描述：

  丙基三苯基溴化膦 在 水 、 hydroxide 作用下， 生成 正丙基二苯基氧膦
  参考文献：
  名称：

  -olefins from the horner-wittig reaction; origin and optimisation of stereochemistry

  摘要：

  DOI：

  10.1016/s0040-4039(00)94318-1

文献信息

• The rational design of modified Cinchona alkaloid catalysts. Application to a new asymmetric synthesis of chiral chromanes
  作者：Alain Merschaert、Pieter Delbeke、Désiré Daloze、Georges Dive

  DOI：10.1016/j.tetlet.2004.04.090

  日期：2004.6

  step is the intramolecular conjugate addition of a phenolic nucleophile on a α,β-unsaturated ester catalyzed by Cinchona alkaloids. The high ee’s obtained with cinchonine and its derivatives have been rationalized by ab initio quantum chemistry calculations of transition state structures.

  已经实现了2-取代的手性苯并二氢吡喃的新的不对称合成。关键步骤是在金鸡纳生物碱催化的α，β-不饱和酯上分子内共轭酚类亲核试剂。用金鸡宁及其衍生物获得的高ee已通过对过渡态结构进行从头算量子化学计算得到合理化。
• Synthesis, structure and magnetic properties of organic-intercalated bimetallic molecular-based ferrimagnets (n-CnH2n+1)PPh3MIIFeIII(C2O4)3, (MII = Mn, Fe; n = 3–7)
  作者：Ian D. Watts、Simon G. Carling、Peter Day

  DOI：10.1039/b107057f

  日期：2002.3.26

  (n-CnH2n+1)PPh3MIIFeIII(C2O4)3 (n = 3–7, MII = Mn, Fe) were prepared and the structures investigated by powder X-ray diffraction in order to study the evolution of the structure and magnetic properties as a function of alkyl chain length. The compounds all have the same two-dimensional honeycomb structure of MII and FeIII bridged by oxalate, with the organic cations lying between the metal–oxalate layers, whose separation

  制备了双金属三草酸酯盐（n -C n H 2 n +1）PPh 3 M II Fe III（C 2 O 4）3（n = 3-7，M II = Mn，Fe），并研究了结构经过粉末X射线衍射 为了研究结构和磁性能随时间的变化 烷基链长。这些化合物都具有由草酸盐桥接的M II和Fe III的相同的二维蜂窝结构，其中有机阳离子位于金属草酸盐层之间， Fe II盐的分离范围为9.48Å（n = 3）至11.10Å（n = 7），Mn II的分离范围为9.37到10.81Å 。这些化合物均表现为亚铁酸盐，其磁参数类似于相应的AM II Fe III（C 2 O 4）3，其中A = NR 4 +，PPh 4 +和T c几乎对层间分离不敏感。Mn II盐在T c和Fe II以下显示出未补偿的磁化强度图中显示了Néel型N亚铁磁性，在低温下具有负磁化强度，由于Fe II子晶格中的空位，其大小受制备条件的影响。
• DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS
  申请人：Novira Therapeutics, Inc.

  公开号：US20160185778A1

  公开（公告）日：2016-06-30

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了用于治疗需要治疗HBV感染的受试者的化合物，其制药组合物，以及抑制、抑制或预防受试者HBV感染的方法。
• A MOR Antagonist with High Potency and Antagonist Efficacy among Diastereomeric C9-Alkyl-Substituted N-Phenethyl-5-(3-hydroxy)phenylmorphans
  作者：Dana R. Chambers、Agnieszka Sulima、Dan Luo、Thomas E. Prisinzano、Arthur E. Jacobson、Kenner C. Rice

  DOI：10.3390/molecules28145411

  日期：——

  class of compounds. Comparable C9-alkyl (methyl through butyl) substituents, with their sets of diastereomers, have not been explored. All these compounds have now been synthesized to determine the effect chain-length and stereochemistry at the C9 position in the molecule might have on their interaction with opioid receptors. We now report the synthesis and in vitro activity of 16 compounds, the C9-methyl

  5-(3-羟基)苯基吗啡烷结构类化合物与经典吗啡喃、4,5-环氧吗啡喃和6,7-苯并吗啡喃不同，因为它们具有赤道取向的芳环，而不是发现的该环的轴向取向在经典阿片类药物中。这种经过修饰和简化的阿片样结构已被证明保留了抗伤害活性，具体取决于其立体化学和取代基，并且其中一些已被发现比吗啡更有效。研究发现，一种简单的 C9-羟基-5-(3-羟基)苯基吗啡烷对映体在体内的效力比吗啡强约 500 倍。我们之前已经研究过 N-苯乙基-5-(3-羟基)苯基吗啡烷类化合物中的 C9-烯基和羟烷基取代基。尚未探索类似的 C9-烷基（甲基至丁基）取代基及其非对映体组。所有这些化合物现已合成，以确定分子中 C9 位点的链长和立体化学可能对其与阿片受体相互作用的影响。我们现在使用毛喉素诱导的 cAMP 积累抑制测定报告了 16 种化合物（C9-甲基、乙基、丙基和丁基非对映体）的合成和体外活性。几种有效的（亚纳摩尔和纳摩尔）MOR
• Palladium-Catalyzed Enantioselective Hydrohydrazonation of 1,3-Dienes
  作者：Shaozi Sun、Qinglong Zhang、Weiwei Zi

  DOI：10.1021/acs.orglett.3c02729

  日期：2023.12.1

  We presented a method for synthesizing allylic chiral hydrazones from 1,4-disubstituted 1,3-dienes and hydrazones through a (R)-DTBM-Segphos-Pd(0)-catalyzed hydrohydrazonation reaction. This transformation has a wide range of substrates and good functional group tolerance. The desired products were obtained in medium to high yield and good regio- and enantioselectivity. Synthetic transformation of

  我们提出了一种通过 ( R )-DTBM-Segphos-Pd(0) 催化的氢腙反应从 1,4-二取代 1,3-二烯和腙合成烯丙基手性腙的方法。该转化具有广泛的底物范围和良好的官能团耐受性。以中等至高产率和良好的区域选择性和对映选择性获得了所需产物。证明了产物合成转化为各种含氮手性化合物。

表征谱图