(2-甲基苄基)三苯基氯化膦 | 63368-36-5

• 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: (2-甲基苄基)三苯基氯化膦
• 中文别名: 2-甲基三苯基氯化磷；(2-甲基苄基)三苯基氯化磷
• 英文名称: (2-methylbenzyl)triphenylphosphonium chloride
• 英文别名: (2-methylphenyl)methyl-triphenylphosphanium;chloride
• CAS: 63368-36-5
• 化学式: C₂₆H₂₄P*Cl
• 分子量: 402.903
• InChiKey: RDHRQYBAQXBTNT-UHFFFAOYSA-M

物化性质

• 熔点：
  275-277 °C
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2931900090
• 储存条件：
  应将产品存放在密封容器中，并置于阴凉、干燥处。储存地点需远离氧化剂。

SDS

Name:	2-Methylbenzyltriphenylphosphonium chloride 99% Material Safety Data Sheet
Synonym:	[(2-Methylphenyl)methyl]-triphenylphosphonium chloride
CAS:	63368-36-5

Section 1 - Chemical Product MSDS Name:2-Methylbenzyltriphenylphosphonium chloride 99% Material Safety Data Sheet
Synonym:[(2-Methylphenyl)methyl]-triphenylphosphonium chloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
63368-36-5	2-Methylbenzyltriphenylphosphonium chl	99	264-112-3

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
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.

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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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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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.

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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. Keep container tightly closed.
Use with adequate ventilation. Avoid breathing dust.
Storage:
Keep container closed when not in use. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 63368-36-5: 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 minimize contact with skin.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 275-277 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:
Specific Gravity/Density:
Molecular Formula: C26H24ClP
Molecular Weight: 402.89

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 63368-36-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methylbenzyltriphenylphosphonium chloride - 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
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:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 63368-36-5: No information available.
Canada
CAS# 63368-36-5 is listed on Canada's NDSL List.
CAS# 63368-36-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63368-36-5 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (2-甲基苄基)三苯基氯化膦 在 氢氧化钾 、 sodium hydroxide 、 溴 作用下， 以 四氯化碳 、 乙醇 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 1-甲基-2-[2-(2-甲基苯基)乙炔基]苯
  参考文献：
  名称：

  立体选择性地将二苯膦加成至取代的二苯乙炔：合成，NMR和X射线晶体学研究

  摘要：

  的碱催化加成二苯基膦与上述取代diphenylethynes RC CR'（R =苯基，R'=苯基，Õ甲苯基，米甲苯基或2-联苯基; R = 米间-甲苯基，R'=  ö甲苯基或米-甲苯基）产生Ph 2 PC（R）CHR'和/或Ph 2 PCH（R）CH（R'）PPh 2。Proton，13 C，13 P和二维旋转框架Overhauser增强功能11 H NMR光谱已用于确定反应的立体化学途径和产物的立体化学。通常，受阻较大的炔烃最终进行单加成反应，最终生成膦基烯烃，其中Ph 2 P附着在碳原子上取代基最少，而顺式附着在烯烃质子上，而对于受阻较小的炔烃，首先形成反式异构体，然后进一步反应得到内消旋/赤型-二膦基烷烃。在相同条件下，双（邻甲苯基）乙炔不会与Ph 2 PH反应。确定了E-和Z -Ph 2的晶体结构P（Ph）C CHPh并显示与上述反应所隐含的应变模式一致的键间角变形。还制备了膦基

  DOI：

  10.1039/a707210d
• 作为产物：
  描述：

  三苯基膦 、 2-甲基苄溴 反应 0.17h， 以89%的产率得到(2-甲基苄基)三苯基氯化膦
  参考文献：
  名称：

  所有鏻叶立德类型的统一锂无盐 Wittig 反应机制的明确实验证据：与 β-杂原子取代的醛的反应始终具有选择性 forcis-Oxaphosphetane 衍生产品

  摘要：

  无锂盐维蒂希反应的真实过程长期以来一直是有机化学中一个有争议的问题。在此，我们报告了所有三种主要鏻叶立德类（非稳定化、半稳定化和稳定化）的 Wittig 反应所共有的实验效果：对顺式氧杂膦烷及其衍生产物（Z -烯烃和赤型-β-羟基鏻盐）在涉及在 β 位带有杂原子取代基的醛的反应中。该效应对苯甲醛和脂肪族醛都起作用，并且显示在醛上没有杂原子取代基的情况下不起作用。所有叶立德类型反应共有效应的发现有力地证明了所有 Li 无盐 Wittig 反应的共同机制。此外，结果表明，由 Vedejs 和同事提出的 [2+2] 环加成机制最容易解释，并由 Aggarwal、Harvey 和同事补充，从而为支持该机制提供了强有力的确证证据。值得注意的是，在半稳定叶立德的情况下，邻位取代基的协同作用得到证实，并被环加成机制所适应。该效应也显示在三苯基膦衍生的叶立德的反应中起作用，并且先前已在水性条件下的反应中观

  DOI：

  10.1021/ja300943z

文献信息

• [EN] PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS<br/>[FR] URÉES DE PYRIDYL COMME ANTAGONISTES DE RÉCEPTEUR MINÉRALOCORTICOÏDE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012064631A1

  公开（公告）日：2012-05-18

  Mineralocorticoid receptor antagonists, of which formula (1) is exemplary.

  矿物皮质激素受体拮抗剂，其中公式（1）是示例。
• Reactions of benzyltriphenylphosphonium salts under photoredox catalysis
  作者：Andrew M. Boldt、Sidney I. Dickinson、Jonathan R. Ramirez、Anna M. Benz-Weeden、David S. Wilson、Susan M. Stevenson

  DOI：10.1039/d1ob01570b

  日期：——

  The development of benzyltriphenylphosphonium salts as alkyl radical precursors using photoredox catalysis is described. Depending on substituents, the benzylic radicals may couple to form C–C bonds or abstract a hydrogen atom to form C–H bonds. A natural product, brittonin A, was also synthesized using this method.

  描述了使用光氧化还原催化开发作为烷基自由基前体的苄基三苯基鏻盐。根据取代基的不同，苄基可以偶联形成 C-C 键或夺取氢原子以形成 C-H 键。使用这种方法还合成了一种天然产物 Brittonin A。
• Chemical structure and sweet taste of isocoumarin and related compounds. IX.
  作者：MASATOSHI YAMATO、KOICHI SATO、KUNIKO HASHIGAKI、TAKAJI KOYAMA

  DOI：10.1248/cpb.25.706

  日期：——

  Structural modification of the phenyl moiety (A moiety) of β-(3-hydroxy-4-methoxyphenyl) ethylbenzene (I), which constitute an essential part of phyllodulcin molecules, was attempted to make the relationship between structure and sweet taste clearer. Twenty-four derivatives of A moiety of I were synthesized, the compound (II, IV, V, VI, X, XXII, XXIII, and XXVI) revealed sweet taste and the other compounds were tasteless. On the basis of these data, the taste of these compounds were discussed in connection with the stereochemical hindrance effect of substituents.

  对β-(3-羟基-4-甲氧基苯基)乙基苯（I）的苯基部分（A部分）进行了结构修饰，试图使结构与甜味之间的关系更加明确。合成了I的24种A部分衍生物，其中化合物（II、IV、V、VI、X、XXII、XXIII和XXVI）显示出甜味，而其他化合物则无味。根据这些数据，讨论了这些化合物的味道与取代基的立体化学障碍效应之间的关系。
• Redesign of a Pyrylium Photoredox Catalyst and Its Application to the Generation of Carbonyl Ylides
  作者：Edwin Alfonzo、Felix Steven Alfonso、Aaron B. Beeler

  DOI：10.1021/acs.orglett.7b01222

  日期：2017.6.2

  We report the exploration into photoredox generation of carbonyl ylides from benzylic epoxides using newly designed 4-mesityl-2,6-diphenylpyrylium tetrafluoroborate (MDPT) and 4-mesityl-2,6-di-p-tolylpyrylium tetrafluoroborate (MD(p-tolyl)PT) catalysts. These catalysts are excited at visible wavelengths, are highly robust, and exhibit some of the highest oxidation potentials reported. Their utility

  我们报告探索photoredox代从苄环氧化物羰基叶立德采用全新设计的4-三甲-2,6- diphenylpyrylium四氟硼酸盐（MDPT）和4-三甲-2,6-二p -tolylpyrylium四氟硼酸盐（MD（p甲苯基）PT）催化剂。这些催化剂在可见光波长下被激发，具有很高的鲁棒性，并且表现出某些报道的最高氧化电位。在从苄基环氧化物温和而有效地生成羰基化物中证明了它们的效用，否则当前的普通光氧化还原催化剂无法实现。
• Carbazole compounds and process for preparing the same
  申请人：Hodogaya Chemical Co., Ltd.

  公开号：US04521605A1

  公开（公告）日：1985-06-04

  Carbazole compounds of formula (I) are disclosed, which are useful as photoconductors for electrophotography and fluorescent brightening agent in the field of paints, ##STR1## wherein R represents a C.sub.2.about.4 alkyl group, or a benzyl group; X.sup.1 represents hydrogen, a C.sub.1.about.4 alkyl group, a C.sub.1.about.4 alkoxyl group, a halogen atom, a nitro group, an amino group, a C.sub.1.about.4 alkylamino group or a benzylamino group; and n is an integer 1 or 2. A method of preparing a carbazole compound of formula (II) is also disclosed, in which a phenyl derivative of formula (III) is caused to react with an aldehyde of formula (IV), ##STR2## wherein R represents a C.sub.2.about.4 alkyl group, or a benzyl group; X.sup.2 represents hydrogen, a C.sub.1.about.4 alkyl group, a C.sub.1.about.4 alkoxyl group, a halogen atom, a nitro group; and m is an integer 0 or 1; ##STR3## wherein X.sup.2 represents the same as in the formula (II) and Y represents a triphenylphosphonium group of the formula ##STR4## wherein Z.sup..crclbar. represents a halogen ion, or Y represents a dialkylphosphonate group of the formula --PO(OR').sup.2 wherein R' represents a C.sub.1.about.4 alkyl group; ##STR5## wherein R represents the same as in the formula (III).

  公开了化学式（I）的咔唑化合物，这些化合物在电子摄影中作为光导体和在涂料领域中作为荧光增白剂中有用，其中R代表一个C.sub.2到4的烷基或苄基；X^1代表氢、一个C.sub.1到4的烷基、一个C.sub.1到4的烷氧基、一个卤素原子、一个硝基、一个氨基、一个C.sub.1到4的烷基氨基或一个苄基氨基；n是整数1或2。还公开了一种制备化学式（II）的咔唑化合物的方法，其中使化学式（III）的苯衍生物与化学式（IV）的醛发生反应，其中R代表一个C.sub.2到4的烷基或苄基；X^2代表氢、一个C.sub.1到4的烷基、一个C.sub.1到4的烷氧基、一个卤素原子、一个硝基；m是整数0或1；其中X^2代表与化学式（II）中相同的物质，Y代表一个三苯基膦基团的化学式，其中Z.sup..crclbar.代表一个卤离子，或Y代表一个二烷基膦酸酯基团的化学式--PO(OR')^2，其中R'代表一个C.sub.1到4的烷基；其中R代表与化学式（III）中相同的物质。