2-(2-氯苯氧基)乙胺 | 26378-53-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2-氯苯氧基)乙胺
• 英文名称: 2-(2-chlorophenoxy)ethylamine
• 英文别名: 1-(2-aminoethoxy)-2-chlorobenzene；2-(2-chlorophenoxy)ethan-1-amine；2-(2-chlorophenoxy)ethanamine
• CAS: 26378-53-0
• 化学式: C₈H₁₀ClNO
• mdl: MFCD00125294
• 分子量: 171.626
• InChiKey: NAPNYPMMDVRKGM-UHFFFAOYSA-N

物化性质

• 熔点：
  39-40°C
• 沸点：
  115-117°C 5mm
• 密度：
  1.178±0.06 g/cm3(Predicted)
• 闪点：
  150-153°C/18mm
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。避免接触氧化物、酸。

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 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
• 危险类别码：
  R34
• 海关编码：
  2922299090
• 包装等级：
  III
• 危险类别：
  8
• 危险品运输编号：
  2735
• 储存条件：
  保持贮藏器密封，并将其放入一个紧密封装的容器中。存储时应选择阴凉、干燥的地方。

SDS

Name:	2-(2-Chlorophenoxy)ethylamine, 97% Material Safety Data Sheet
Synonym:
CAS:	26378-53-0

Section 1 - Chemical Product MSDS Name: 2-(2-Chlorophenoxy)ethylamine, 97% Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
26378-53-0	2-(2-Chlorophenoxy)ethylamine	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Air sensitive. 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. Store under an inert atmosphere.

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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# 26378-53-0: 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: 115 - 117 deg C @5mmHg
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: C8H10ClNO
Molecular Weight: 171.63

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 26378-53-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-Chlorophenoxy)ethylamine - 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: 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# 26378-53-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 26378-53-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 26378-53-0 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(2-氯苯氧基)乙胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 异丙醇 为溶剂， 反应 3.0h， 生成 N⁴-(2-(2-chlorophenoxy)ethyl)-N²-methylthieno[3,2-d]pyrimidine-2,4-diamine
  参考文献：
  名称：

  2,4-二氨基噻吩并[3,2-d]嘧啶类，一种新型驱虫剂，对鞭虫成虫期和卵期有活性

  摘要：

  人类鞭虫Trichuris trichiura是一种寄生虫，感染全球约 5 亿人，其后果包括对身体发育和教育表现的损害。与其他土壤传播的蠕虫相比，甲苯咪唑等目前的药物对鞭虫的疗效明显不足。因此，大规模药物管理计划不太可能实现根除鞭虫病，迫切需要新的治疗鞭虫病的方法。目前所有的药物控制策略都集中在感染后根除，针对体内寄生虫. 在这里，我们建议开发新的驱虫剂，将土壤中寄生虫的卵期作为辅助环境策略。作为支持这种方法的证据，我们描述了一类新的驱虫化合物 2,4-二氨基噻吩并[3,2- d ]嘧啶 (DATP) 的作用。这类化合物在药物化学中具有广泛的用途，但以前没有被描述为具有驱虫活性。重要的是，这些化合物不仅显示出对成虫寄生虫的功效，而且对胚胎和未胚胎卵阶段都显示出功效，从而可以打破寄生虫的生命周期。

  DOI：

  10.1371/journal.pntd.0006487
• 作为产物：
  描述：

  邻氯苯酚 在 一水合肼 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 16.0h， 生成 2-(2-氯苯氧基)乙胺
  参考文献：
  名称：

  新型吡咯烷-2,4-二酮衍生物的设计，合成，晶体结构和除草活性

  摘要：

  为了发现具有新型分子支架的绿色除草剂，使用天然四酸作为先导化合物来设计和合成四种结合了链状烷氧基烷基部分（4a–4d）和十九种吡咯烷-2,4-的吡咯烷-2,4-二酮衍生物。通过取代，酰化，环化和酸化反应掺入取代的苯氧乙基部分（10a-10s）的二酮衍生物。通过FT-IR，1 H NMR，13 C NMR和HRMS光谱分析确认了合成的目标化合物。化合物10a的单晶结构X-射线衍射分析表明，1-羟基亚乙烯基通过具有Z-构型的双键连接吡咯烷杂环的第三位置。通过培养皿培养法，以bar草（Echinochloa crus-galli）和油菜（Brassica campestris）为模型植物来评价除草活性。发现大多数目标化合物在100μgmL -1时对植物生长具有中等至良好的抑制活性。其中，化合物10q和10n对草和油菜幼苗的根系表现出最高的除草活性，相应的抑制率分别为65.6％和84.0％。该结果

  DOI：

  10.1039/d1nj00119a
• 作为试剂：
  描述：

  2-[2-(2-Chloro-phenoxy)-ethyl]-isoindole-1,3-dione 、 一水合肼 、 盐酸 在 sodium hydroxide 、 氯仿 、 potassium carbonate 、 silicone 、 2-(2-氯苯氧基)乙胺 作用下， 以 alcohol 为溶剂， 反应 1.75h， 生成 2-Chlorophenoxy ethylamine
  参考文献：
  名称：

  Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain

  摘要：

  这项发明披露了一些具有肾上腺素受体阻滞和钙通道阻滞作用的1,4-二氢吡啶衍生物化合物。其中1,4-二氢吡啶衍生物化合物的化学式为I，其中R从以下四个组中选择1个：1. R是否存在；2. R1从卤素（X）、氢（H）、饱和的C1-C6烷基链、饱和的C1-C6烷氧基链中选择；3. R2从卤素（X）、氢（H）、饱和的C1-C6烷基链、饱和的C1-C6烷氧基链和O-（C1-C3）-CF3中选择；4. R3从卤素（X）、氢（H）、饱和的C1-C6烷基链、饱和的C1-C6烷氧基链中选择。

  公开号：

  US20030055066A1

文献信息

• [EN] MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS<br/>[FR] INHIBITEURS DE MTH1 DESTINÉS AU TRAITEMENT DES ÉTATS INFLAMMATOIRES ET AUTO-IMMUNS
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2015187089A1

  公开（公告）日：2015-12-10

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, for use in the treatment of autoimmune diseases and inflammatory conditions.

  化合物的化学式（I），或其药学上可接受的盐，用于治疗自身免疫性疾病和炎症性疾病。
• [EN] PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRIMIDINE-2,4-DIAMINE UTILISABLES EN VUE DU TRAITEMENT DU CANCER
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2014084778A1

  公开（公告）日：2014-06-05

  A compound of formula (I), or a pharmaceutically-acceptable salt thereof. The compound is useful in the treatment of cancer or other diseases that may benefit from inhibition of MTH1.

  公式(I)的化合物，或其药用可接受的盐。该化合物可用于治疗癌症或其他可能从抑制MTH1中受益的疾病。
• Easily Accessible Auxiliary for Palladium-Catalyzed Intramolecular Amination of C(sp²)H and C(sp³)H Bonds at δ- and ε-Positions
  作者：Chao Wang、Changpeng Chen、Jingyu Zhang、Jian Han、Qian Wang、Kun Guo、Pei Liu、Mingyu Guan、Yingming Yao、Yingsheng Zhao

  DOI：10.1002/anie.201404854

  日期：2014.9.8

  for selective CH activation under palladium catalysis. The novel auxiliary showed its first powerful application in CH functionalization of remote positions. Both C(sp2)H and C(sp3)H bonds at δ‐ and ε‐positions were effectively activated, thus giving tetrahydroquinolines, benzomorpholines, pyrrolidines, and indolines in moderate to excellent yields by palladium‐catalyzed intramolecular CH amination

  已经开发了一种易于合成且易于获得的N，O-双齿状助剂，用于在钯催化下选择性CH活化。新颖的辅助显示用C其第一强大的应用远程位置h的官能化。两个C（SP 2） H和C（SP 3） H在δ-和ε位键被有效激活，由此得到四氢喹啉，benzomorpholines，吡咯烷，二氢吲哚并在中度至通过钯催化的分子内Ç优异的产率氨化。
• [EN] NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS<br/>[FR] NOUVEAUX PHÉNYL IMIDAZOLES ET PHÉNYL TRIAZOLES EN TANT QUE MODULATEURS DE LA GAMMA SÉCRÉTASE
  申请人：PFIZER

  公开号：WO2010100606A1

  公开（公告）日：2010-09-10

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I) as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物及其药用可接受盐已被披露，其中所述化合物具有规范中定义的Formula (I)的结构。相应的药物组合物、治疗方法、合成方法和中间体也已被披露。
• Antibacterial Barbituric Acid Analogues Inspired from Natural 3-Acyltetramic Acids; Synthesis, Tautomerism and Structure and Physicochemical Property-Antibacterial Activity Relationships
  作者：Yong-Chul Jeong、Mark Moloney

  DOI：10.3390/molecules20033582

  日期：——

  The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and some resistant Gram-positive strains of particular interest is that these systems possess amenable molecular weight, rotatable bonds and number of proton-donors/acceptors for drug design as well as less

  报道了新型巴比妥酸盐的合成、互变异构和抗菌活性。特别是，3-酰基和 3-羧酰胺巴比妥酸盐对敏感和一些耐药革兰氏阳性菌株表现出抗菌活性，特别令人感兴趣的是，这些系统具有适用的分子量、可旋转键和用于药物设计的质子供体/受体数量由于亲脂性较差，理化性质和离子状态类似于目前用于口服和注射的抗生素。不幸的是，巴比妥核心对血浆蛋白亲和力的降低不足以实现体内活性。因此需要进一步优化以降低血浆蛋白亲和力和/或提高抗生素效力，