2-苯氧基乙胺 | 1758-46-9

• 物质功能分类: 化学试剂 - 有机试剂 - 芳烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-苯氧基乙胺
• 中文别名: 苯氧乙胺；2-苯氧基乙基胺
• 英文名称: 2-phenoxyethanamine
• 英文别名: 2-phenoxyethan-1-amine；2-phenoxy-ethylamine；phenoxyethylamine；2-phenyloxyethylamine；2-Phenoxyethylamine
• CAS: 1758-46-9
• 化学式: C₈H₁₁NO
• mdl: MFCD00052975
• 分子量: 137.181
• InChiKey: IMLAIXAZMVDRGA-UHFFFAOYSA-N

物化性质

• 沸点：
  101-103 °C/4 mmHg (lit.)
• 密度：
  1.048 g/mL at 25 °C (lit.)
• 闪点：
  225 °F
• 稳定性/保质期：
  常温常压下稳定，避免与氧化物接触。一般不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 海关编码：
  2922299090
• RTECS号：
  KR9500000
• 包装等级：
  III
• 危险类别：
  8
• 危险品运输编号：
  UN 2735 8/PG 3
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H314
• 储存条件：
  密封贮藏，应存放在阴凉干燥处。

SDS

Name:	2-Phenoxyethylamine 95+% Material Safety Data Sheet
Synonym:
CAS:	1758-46-9

Section 1 - Chemical Product MSDS Name:2-Phenoxyethylamine 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1758-46-9	2-Phenoxyethylamine	95+%	217-153-6

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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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# 1758-46-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 88 - 90 deg C @1mmHg
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: 1.048
Molecular Formula: C8H11NO
Molecular Weight: 137

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1758-46-9: KR9500000 LD50/LC50:
Not available.
Carcinogenicity:
2-Phenoxyethylamine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1758-46-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1758-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1758-46-9 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

2-苯氧基乙胺是生产奈法唑酮的重要中间体。奈法唑酮是一种苯哌嗪类抗抑郁药，其结构与曲唑酮相似。它能阻断突触前神经元对5-HT的重摄取，并作为突触后5-HT2受体的拮抗剂。不同于曲唑酮的是，2-苯氧基乙胺还能抑制去甲肾上腺素的再摄取；同时它还能够阻断α1-受体，但对多巴胺受体没有显著作用。与其他三环类抗抑郁药相比，奈法唑酮并没有明显的抗毒蕈碱作用。

此外，2-苯氧基乙胺也用于合成其他原料药。

反应信息

• 作为反应物：
  描述：

  2-苯氧基乙胺 在 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate 作用下， 以 2,2,2-三氟乙醇 为溶剂， 反应 24.0h， 以85%的产率得到N-苯基乙醇胺
  参考文献：
  名称：

  可见光介导的Smiles重排和未活化芳香族化合物的环空。

  摘要：

  我们报告了自由基阳离子Smiles重排的第一个例子。一系列芳氧基烷基胺进行自发反应，其中氨基在through啶催化剂（5mol％）的存在下，在环境温度下和在可见光的光活化下，通过取代作用置换ipso-烷氧基。该研究扩展至3-（2-甲氧基苯基）丙-1-胺衍生物，其缺乏合适的ipso离去基团。在此，有效的环化作用导致甲氧基的置换和四氢喹啉的形成。

  DOI：

  10.1039/d0cc04666c
• 作为产物：
  描述：

  己二酸,聚合2,2-二甲基-1,3-丙二醇和2,5-呋喃二酮,苯酸酯 在 偶氮二甲酸二苄酯 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以79%的产率得到2-苯氧基乙胺
  参考文献：
  名称：

  有效地将伯醇和仲醇转化为伯胺

  摘要：

  据报道，伯醇和仲醇方便地单容器转化为伯胺。与文献报道的类似方法相比，该方法的使用可产生实质上更清洁的粗产物。简单的处理也使该过程非常适合并行综合。

  DOI：

  10.1016/j.tetlet.2007.09.034

文献信息

• 腈及其相应胺的制造方法
  申请人：中国石油化工股份有限公司

  公开号：CN104557610B

  公开（公告）日：2018-04-27

  本发明涉及一种腈的制造方法，与现有技术相比，具有氨源用量显著降低、环境压力小、能耗低、生产成本低、腈产物的纯度和收率高等特点，并且能够获得结构更为复杂的腈。本发明还涉及由该腈制造相应胺的方法。
• [EN] ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF<br/>[FR] DERIVE D'ALPHA-CETOAMIDE, SON PROCEDE DE PRODUCTION ET D'UTILISATION
  申请人：SENJU PHARMA CO

  公开号：WO2005056519A1

  公开（公告）日：2005-06-23

  The present invention provides a compound represented by the formula (I): (INSERT CHEMICAL FORMULA) (wherein R1 is a lower alkyl substituted by a lower alkoxy or a heterocyclic group, or a heterocyclic group; R2 is a lower alkyl optionally substituted by a phenyl; and R3 is a lower alkyl optionally substituted by a halogen, a lower alkoxy or a phenyl, or a fused polycyclic hydrocarbon group), which is well absorbed orally, exhibits durability of good blood level and has potent calpain inhibitory activity.

  本发明提供了一种化合物，其化学式表示为（I）：（插入化学式）（其中R1是由低烷基取代的低烷氧基或杂环基，或者是杂环基；R2是可选择地由苯基取代的低烷基；R3是可选择地由卤素、低烷氧基或苯基取代的低烷基，或者是融合的多环碳氢基），该化合物在口服后被很好地吸收，表现出良好的血液水平持久性，并具有强大的钙蛋白酶抑制活性。
• [EN] NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS<br/>[FR] NOUVEAUX MODULATEURS DE POINTS DE CONTRÔLE DU CYCLE CELLULAIRE ET LEUR UTILISATION EN COMBINAISON AVEC DES INHIBITEURS DE KINASE DE POINT DE CONTRÔLE
  申请人：SCHERING CORP

  公开号：WO2009061781A1

  公开（公告）日：2009-05-14

  In its many embodiments, the present invention provides a novel class of pyrimidine analogs of formula (V) as targeted mechanism-based modulators of cell cycle checkpoints. Cancers and/or malignancies can be treated by administration of a cell cycle checkpoint modulator of the invention. Also discussed are suitable combinations of the cell cycle checkpoint modulator with a checkpoint kinase inhibitor to produce synergistic apoptosis in cancer cells. The invention includes methods of treating cancers by administering the combination of the cell cycle checkpoint modulator and the checkpoint kinase inhibitor, pharmaceutical compositions comprising the activator as well as the combination and pharmaceutical kits.

  在其多种实施方式中，本发明提供了一类新型的嘧啶类似物，其化学式为（V），作为细胞周期检查点的靶向机制调节剂。可以通过给予本发明的细胞周期检查点调节剂来治疗癌症和/或恶性肿瘤。还讨论了适当的细胞周期检查点调节剂与检查点激酶抑制剂的组合，以在癌细胞中产生协同凋亡。该发明包括通过给予细胞周期检查点调节剂和检查点激酶抑制剂的组合来治疗癌症的方法，以及包含激活剂以及该组合的药物组合和药物配套工具。
• Chemoproteomics-enabled covalent ligand screen reveals a cysteine hotspot in reticulon 4 that impairs ER morphology and cancer pathogenicity
  作者：L. A. Bateman、T. B. Nguyen、A. M. Roberts、D. K. Miyamoto、W.-M. Ku、T. R. Huffman、Y. Petri、M. J. Heslin、C. M. Contreras、C. F. Skibola、J. A. Olzmann、D. K. Nomura

  DOI：10.1039/c7cc01480e

  日期：——

  thus put forth RTN4 as a potential novel colorectal cancer therapeutic target and reveal a unique druggable hotspot within RTN4 that can be targeted by covalent ligands to impair colorectal cancer pathogenicity. Our results underscore the utility of coupling the screening of fragment-based covalent ligands with isoTOP-ABPP platforms for mining the proteome for novel druggable nodes that can be targeted

  化学遗传学已经成为鉴定新型抗癌药的有力方法。然而，该方法的主要瓶颈是确定由筛选产生的铅化合物的目标。在这里，我们将基于片段的半胱氨酸反应性共价配体的合成和筛选与基于活性的蛋白谱分析（ABPP）化学旋转方法相结合，以鉴定可削弱结肠直肠癌致病性的化合物，并绘制这些命中靶点的可治疗热点。通过这种耦合方法，我们发现了半胱氨酸反应性丙烯酰胺DKM 3-30，该物质通过将C1101靶向网状蛋白4（RTN4）大大削弱了结肠直肠癌细胞的致病性。尽管对RTN4在大肠癌中的作用知之甚少，该蛋白已被确定为内质网管状网络形成的关键介体。我们在这里显示DKM 3-30对RTN4上C1101的共价修饰或RTN4的基因敲低损害了内质网和核包膜形态以及大肠癌的致病性。因此，我们提出了RTN4作为潜在的新型结直肠癌治疗靶标，并揭示了RTN4内独特的可药物热点，共价配体可靶向该热点来削弱结直肠癌的致病性。我们的结果强调了将基
• Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor
  申请人：——

  公开号：US20040157849A1

  公开（公告）日：2004-08-12

  Compounds of formula (I) 1 are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  式（I）的化合物是新颖的VR1拮抗剂，可用于治疗疼痛、炎症性热性过敏、尿失禁和膀胱过度活动。

表征谱图