2-羧乙基三苯基溴化磷 | 51114-94-4

• 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-羧乙基三苯基溴化磷
• 中文别名: (2-羧基乙基)三苯基鏻溴化物
• 英文名称: (2-carboxyethyl)triphenylphosphonium bromide
• 英文别名: (3-Carboxypropyl)triphenylphosphonium bromide；(2-carboxyethyl)triphenylphosphanium bromide；3-(Triphenylphosphaniumyl)propanoate--hydrogen bromide (1/1)；3-triphenylphosphaniumylpropanoate;hydrobromide
• CAS: 51114-94-4
• 化学式: Br*C₂₁H₂₀O₂P
• 分子量: 415.266
• InChiKey: BVKRDNIULHRLCO-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37,S39
• 危险类别码：
  R36/37/38
• 海关编码：
  29319090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放于阴凉干燥处即可。

SDS

Name:	2-Carboxyethyl triphenylphosphonium bromide Material Safety Data Sheet
Synonym:
CAS:	51114-94-4

Section 1 - Chemical Product MSDS Name:2-Carboxyethyl triphenylphosphonium bromide Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51114-94-4	2-Carboxyethyl triphenylphosphonium br	ca100	unlisted

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.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Effects may be delayed.

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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.
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.
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 chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 51114-94-4: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C21H20BrO2P
Molecular Weight: 415.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51114-94-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Carboxyethyl 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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# 51114-94-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51114-94-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51114-94-4 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

反应信息

• 作为反应物：
  描述：

  2-羧乙基三苯基溴化磷 在 palladium 10% on activated carbon 、 氢气 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 5-氟-1-四氢萘酮
  参考文献：
  名称：

  环状酰胺与手性磷酸促进的醌单亚胺的高对映选择性[3 + 2]偶联

  摘要：

  使用手性磷酸作为催化剂，实现环酰胺与醌单亚胺的对映选择性[3 + 2]偶联。该转化允许合成高度对映体富集的多环2,3-二氢苯并呋喃。

  DOI：

  10.1039/c6cc01200k
• 作为产物：
  描述：

  3-溴丙酸 、 三苯基膦 以 甲苯 为溶剂， 反应 4.0h， 以93%的产率得到2-羧乙基三苯基溴化磷
  参考文献：
  名称：

  与靶向线粒体ATP敏感钾通道的二氮嗪有关的1,2,4-苯并噻二嗪1,1-二氧化物的三苯基phosph盐

  摘要：

  本工作旨在确定能够靶向线粒体ATP敏感性钾通道（mitoK ATP通道）的新型离子通道调节剂。一种创新方法应包括将阳离子和疏水性三苯基phosph片段固定在已知的K ATP通道开放剂的结构上。预期此类phospho盐穿过生物膜并积聚到线粒体中。 先前的工作表明，在大多数情况下，在4 H -1,2,4-苯并噻二嗪1,1-二氧化物K ATP通道开放剂的3位上存在（R）-1-羟基-2-丙基氨基链，对胰腺型（SUR1 / Kir6.2）K ATP通道的选择性。为了靶向心脏mitoK ATP通道，我们决定通过SUR1选择性（R）-7-氯-3-（1-羟基-2-丙基）氨基-4 H -1上的酯键引入三苯基phosph基团，2,4-苯并噻二嗪1,1-二氧化物。发现新化合物保留了对胰岛素分泌的抑制活性（SUR1型K ATP通道开放剂），但没有观察到明显的证据表明心肌细胞对线粒体有影响（氧气消耗量，呼吸参数和H

  DOI：

  10.1016/j.bmcl.2013.08.091
• 作为试剂：
  描述：

  (E)-4-(4-bromophenyl)but-3-enal 在 potassium tert-butylate 、 2-羧乙基三苯基溴化磷 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-4-(4-bromophenyl)but-3-enoic acid
  参考文献：
  名称：

  Cryptophycin-39 Unit A Precursor Synthesis by a Tandem Shi Epoxidation and Lactonization Reaction of trans-Styryl Acetic Acid

  摘要：

  隐花苷的单元 A 是一种具有两个或四个立体中心的δ-羟基酸。隐花苷-39 单元 A 结构单元的首次合成基于反式苯乙烯乙酸的催化不对称施环氧化反应，然后是原位内酯化反应。该反应的研究范围涉及以各种 δ、δ 不饱和羧酸为底物，在 Shi 条件下不对称合成 4-羟基-5-苯基-四氢呋喃-2-酮。

  DOI：

  10.1055/s-0028-1087541

文献信息

• [EN] DIHYDROQUINOLIZINONES AS ANTIVIRALS<br/>[FR] DIHYDROQUINOLIZINONES À UTILISER EN TANT QU'ANTIVIRAUX
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018154466A1

  公开（公告）日：2018-08-30

  Compounds, specifically hepatitis B virus and/or hepatitis D virus inhibitors, more specifically compounds that inhibit HBe antigen and HBs antigen in a subject, for the treatment of viral infections, and methods of preparing and using such compounds. Formula (I):

  化合物，具体来说是乙型肝炎病毒和/或丙型肝炎病毒抑制剂，更具体地说是抑制受试者体内HBe抗原和HBs抗原的化合物，用于治疗病毒感染，并且涉及制备和使用这类化合物的方法。化学式（I）:
• THERAPEUTIC AGENT FOR CEREBRAL INFARCTION
  申请人：Nakao Akira

  公开号：US20120196824A1

  公开（公告）日：2012-08-02

  The invention provides a therapeutic drug for ischemic stroke. The therapeutic drug has the formula (I) wherein each symbol is as defined herein, or a pharmacologically acceptable salt thereof, or a solvate thereof, as an active ingredient.

  这项发明提供了一种用于缺血性中风的治疗药物。该治疗药物具有如下式（I）的化学式，其中每个符号如本文所定义，或其药理学上可接受的盐，或其溶剂化物，作为活性成分。
• [EN] ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF<br/>[FR] LIEURS D'ACYLHYDRAZONE, PROCÉDÉS ET UTILISATIONS
  申请人：ONTARIO INSTITUTE FOR CANCER RES OICR

  公开号：WO2019109188A1

  公开（公告）日：2019-06-13

  The present application is directed to compounds of Formula (I)-(VI): (I), (II), (III), (IV), (V) (VI), (VII) and (VIII), compositions comprising these compounds and their uses, for example as medicaments and/or diagnostics.

  目前的应用涉及公式(I)-(VI)的化合物：(I)、(II)、(III)、(IV)、(V)、(VI)、(VII)和(VIII)，包含这些化合物的组合物及其用途，例如作为药物和/或诊断剂。
• 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use
  申请人：——

  公开号：US20030073850A1

  公开（公告）日：2003-04-17

  Compounds of formula I 1 are useful in treating diseases prevented by or ameliorated with &agr; 1A agonists. Also disclosed are &agr; 1A agonist compositions and a method of activating &agr; 1 adrenoceptors in a mammal.

  公式I的化合物在治疗由&agr; 1A激动剂预防或改善的疾病中很有用。还公开了&agr; 1A激动剂组合物和在哺乳动物中激活&agr; 1肾上腺素受体的方法。
• [EN] TETRALIN AND TETRAHYDROQUINOLINE COMPOUNDS AS INHIBITORS OF HIF-2ALPHA<br/>[FR] COMPOSÉS DE TÉTRALINE ET DE TÉTRAHYDROQUINOLINE UTILISÉS EN TANT QU'INHIBITEURS DE HIF-2 ALPHA
  申请人：ARCUS BIOSCIENCES INC

  公开号：WO2021188769A1

  公开（公告）日：2021-09-23

  Compounds that inhibit HIF-2a, and compositions containing the compound(s) and methods for synthesizing the compounds, are described herein. Also described are the use of such compounds and compositions for the treatment of a diverse array of diseases disorders, and conditions, including cancer- and immune-related disorders that are mediated, at least in part, by HIF-2a.

  抑制HIF-2a的化合物，以及包含该化合物的方法和合成化合物的方法都在这里描述。还描述了使用这些化合物和组合物治疗多种疾病、障碍和状况，包括至少部分由HIF-2a介导的癌症和免疫相关障碍。