2-(4-甲氧基苯氧基)乙胺 | 50800-92-5

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-甲氧基苯氧基)乙胺
• 英文名称: 2-(4-methoxyphenoxy)ethylamine
• 英文别名: 4-methoxyphenoxyethylamine；2-(4-methoxyphenoxy)ethanamine
• CAS: 50800-92-5
• 化学式: C₉H₁₃NO₂
• mdl: MFCD00052978
• 分子量: 167.208
• InChiKey: YXRCDWIZAGWUBL-UHFFFAOYSA-N

物化性质

• 熔点：
  38-40°C
• 沸点：
  127 °C
• 密度：
  1.060±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）
• 稳定性/保质期：

  如果按照规格正确使用和储存，则不会分解，未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922299090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338
• 危险品运输编号：
  3259
• 危险性描述：
  H302,H318
• 储存条件：
  请将贮藏器保持密封状态，并存放在阴凉干燥处。同时，确保工作环境中具备良好的通风或排气设施。

SDS

Name:	2-(4-Methoxyphenoxy)ethylamine tech Material Safety Data Sheet
Synonym:
CAS:	50800-92-5

Section 1 - Chemical Product MSDS Name:2-(4-Methoxyphenoxy)ethylamine tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
50800-92-5	2-(4-Methoxyphenoxy)ethylamine		unlisted

Hazard Symbols: C
Risk Phrases: 34

---

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.

---

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.

---

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:
Vacuum or sweep up material and place into a suitable disposal 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.

---

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# 50800-92-5: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 122 - 124 deg C @3mmHg
Freezing/Melting Point: 38 - 40 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: C9H13NO2
Molecular Weight: 167

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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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 50800-92-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Methoxyphenoxy)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.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

---

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# 50800-92-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 50800-92-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50800-92-5 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

应用广泛，2-(4-甲氧基苯氧基)乙胺可以作为有机合成中间体和医药中间体，主要应用于实验室研发和化工生产过程。

反应信息

• 作为反应物：
  描述：

  2-(4-甲氧基苯氧基)乙胺 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 水 为溶剂， 反应 8.0h， 生成 8-Hydroxy-5-{2-hydroxy-3-[2-(4-methoxy-phenoxy)-ethylamino]-propoxy}-3,4-dihydro-1H-quinolin-2-one; hydrochloride
  参考文献：
  名称：

  Syntheses and .BETA.-adrenergic blocking activities of carbostyril derivatives.

  摘要：

  许多5-(3-氨基-2-羟基丙氧基)-8-烷氧基和酰氧基-3,4-二氢羰基苯并吡喃和5-(3-氨基-2-羟基丙氧基)-8-烷氧基羰基苯并吡喃是由5,8-二羟基-3,4-二氢羰基苯并吡喃合成的，并对其β-肾上腺素阻断活性进行了研究。其中，8-乙酰氧基-5-[3-(3,4-二甲氧基苯乙胺基)-2-羟基丙氧基]-3,4-二氢羰基苯并吡喃盐酸盐水合物（IVh）被证明具有强效的β1选择性肾上腺素阻断活性。

  DOI：

  10.1248/cpb.29.2166
• 作为产物：
  描述：

  2-(2-(4-methoxyphenoxy)ethyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 2-(4-甲氧基苯氧基)乙胺
  参考文献：
  名称：

  鉴定自PBTZ169衍生的N-苄基3,5-二硝基苯甲酰胺作为抗结核药

  摘要：

  通过PBTZ169的噻嗪酮开环设计并合成了一系列苯甲酰胺支架，最终鉴定出N-苄基3,5-二硝基苯甲酰胺是抗结核药物。3,5- Dinitrobenzamides D5，6，7，和12表现出优异的体外对抗药物易感活性的结核分枝杆菌H37Rv的菌株（MIC：0.0625微克/毫升）和两个临床分离多药耐药性菌株（MIC <0.016-0.125微克/毫升）。化合物D6与PBTZ169相比，显示出可接受的安全性和更好的药代动力学特征，表明其有望成为未来抗结核药物发现的先导化合物。

  DOI：

  10.1021/acsmedchemlett.8b00177

文献信息

• 2,4-Pyrimidinediamine Compounds and Their Uses
  申请人：Singh Rajinder

  公开号：US20150266828A1

  公开（公告）日：2015-09-24

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联反应的2,4-嘧啶二胺化合物，该级联反应导致化学介质的释放，以及合成这些化合物的中介体和方法，以及在多种情况下使用这些化合物的方法，包括在治疗和预防由脱粒和其他由IgE和/或IgG受体信号级联反应激活引起的化学介质释放所表征、引起或相关的疾病。
• [EN] PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES<br/>[FR] NOUVEAUX COMPOSÉS ET TRAITEMENTS AMÉLIORÉS POUR MALADIE CARDIAQUE ET CARDIOVASCULAIRE
  申请人：UNIV NOTTINGHAM

  公开号：WO2012004549A1

  公开（公告）日：2012-01-12

  A compound of formula I-0, and its pharmaceutically acceptable salt or salts and physiologically hydrolysable derivatives in free form or salt form: wherein Z1 is C1-C4 linear or branched alkyl or alkenyl; R4 is selected from unsubstituted and substituted C3-C8 cycloalkyl, C1-C8 linear or branched alkyl, C2-5 alkenyl, C6-C10 heteroaryl or aryl, or C3-C8 heterocyclyl which may be part unsaturated, and combinations thereof; is linear C2-3 alkylene,; X1 is selected from NH and O; X2 is selected from unsaturated C and unsaturated S; and X3 is selected from NH and CH2; or one of X1 and X3 is a single bond; or X1 is O and X2 and X3 together are a single bond; and R7 is selected from oxo, F, Cl, Br, CN, NH2, NR92, NO2, CF3, OR9, COR9, OCOR9, COOR9, NR9COR9, CONR92 SO2NR92, NR9SO2R9; and R8 is selected from C1-5 alkyl, C1-5 alkoxyl, C2-5 alkenyl or alkynyl, C6-10) aryl and C3-8 cycloalkyl and combinations thereof, which may be unsubstituted or f urther substituted by one or more F, Cl, Br, CN, NH2, NR32, NO2, CF3; and R9 is selected from H and a group R8 as hereinbefore defined; n7 and n8 and the sum thereof are independently selected from zero and the whole number integer 1 to 4; processes for the preparation thereof, compositions and uses.

  化合物的化学式I-0，及其在自由形式或盐形式中的药学上可接受的盐或盐和生理水解衍生物：其中Z1是C1-C4线性或支链烷基或烯基；R4选自未取代和取代的C3-C8环烷基，C1-C8线性或支链烷基，C2-5烯基，C6-C10杂环芳基或芳基，或C3-C8杂环烷基，可能是部分不饱和的，以及它们的组合；是线性C2-3烷基；X1选自NH和O；X2选自不饱和的C和不饱和的S；X3选自NH和CH2；或X1和X3中的一个是单键；或X1是O且X2和X3一起是单键；R7选自氧化物，F，Cl，Br，CN，NH2，NR92，NO2，CF3，OR9，COR9，OCOR9，COOR9，NR9COR9，CONR92，SO2NR92，NR9SO2R9；R8选自C1-5烷基，C1-5烷氧基，C2-5烯基或炔基，C6-10芳基和C3-8环烷基及其组合，可能未取代或进一步取代为一个或多个F，Cl，Br，CN，NH2，NR32， ， ；R9选自H和如前所定义的R8基团；n7和n8及其总和分别选自零和整数1至4；其制备方法，组成和用途。
• Antitumour indolequinones: synthesis and activity against human pancreatic cancer cells
  作者：Martyn Inman、Andrea Visconti、Chao Yan、David Siegel、David Ross、Christopher J. Moody

  DOI：10.1039/c4ob00711e

  日期：——

  inhibit the growth of pancreatic cancer cells. The pKa of the leaving group at the 3-position was shown to influence growth inhibitory activity that is consistent with the proposed mechanism of action of reduction, loss of leaving group and formation of a reactive iminium species. Substitutions on the indole nitrogen were well tolerated with little influence on growth inhibitory activity while substitutions

  吲哚醌对胰腺癌细胞的生长抑制活性的一个重要决定因素是在 2-位上被 2-未取代的衍生物取代，其效力明显更强。通过铜（II）介导的溴醌和烯胺的反应，然后进行官能团互变，制备了一系列在氮上和吲哚基羰基位置带有一系列取代基的吲哚醌。然后测定化合物抑制胰腺癌细胞生长的能力。p K a3-位离去基团的改变显示出影响生长抑制活性，这与所提出的还原作用机制、离去基团损失和反应性亚胺类物质的形成一致。吲哚氮上的取代具有良好的耐受性，对生长抑制活性几乎没有影响，而在大于甲氧基的 5 位和 6 位取代导致活性降低。提出的研究定义了最佳生长抑制活性所需的 2-未取代吲哚醌的取代范围。
• [EN] BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY<br/>[FR] DÉRIVÉS DE BENZAZÉPINE, COMPOSITIONS PHARMACEUTIQUES CONTENANT CEUX-CI, ET LEUR UTILISATION EN THÉRAPIE
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2012152915A1

  公开（公告）日：2012-11-15

  The present invention relates to benzazepine derivatives of the formula (I) or a physiologically tolerated salt thereof. The present invention also relates to pharmaceutical compositions comprising such benzazepine derivatives, and the use of such benzazepine derivatives for therapeutic purposes.

  本发明涉及式(I)的苯并氮杂环衍生物或其生理耐受盐。本发明还涉及包含这种苯并氮杂环衍生物的药物组合物，以及利用这种苯并氮杂环衍生物进行治疗目的的用途。
• Therapeutic agents
  申请人：The Boots Company PLC

  公开号：US04629727A1

  公开（公告）日：1986-12-16

  Compounds of formula I ##STR1## in which n=0 or 1; in which, when n=0, R.sub.1 is H, an alkyl, a cycloalkyl, a cycloalkylmethyl, an alkenyl or, an alkynyl group a heterocyclic ring or an optionally substituted phenyl ring or when n=1, R.sub.1 is H or an alkyl group; in which R.sub.2 and R.sub.3 are H or an alkyl group; in which A is a group of formula III --(CH.sub.2).sub.x --W--(CH.sub.2).sub.y -- III in which W is an oxygen atom or a group of formula --S(O).sub.m --, a group of formula --CR.sub.12 R.sub.13 --, a cycloalkylidene group or a cycloalkylene group; x is 0 or an integer from 1 to 5; y is 0 or an integer from 1 to 5. in which R.sub.4 is a carbocyclic ring, a heterocyclic ring, a cyano group, a carbamoyl group, an alkoxycarbonyl group, an amido group, an acyloxy group, a hydroxy group, a thiol group, or a group of formula --OR.sub.20, --SR.sub.20, --SOR.sub.20 or SO.sub.2 R.sub.20. in which R.sub.5, R.sub.6 and R.sub.7 are H, halo, trifluoromethyl, hydroxy, an alkyl group, an alkoxy or alkylthio group, phenyl or R.sub.5 and R.sub.6, together with the carbon atoms to which they are attached, form an optionally substituted second benzene ring; in which R.sub.8 and R.sub.9 are H or an alkyl group containing 1 to 3 carbon atoms; and pharmaceutically acceptable salts thereof have utility in the treatment of depression. Processes for their preparation and compositions containing them are disclosed.

  化合物的化学式为I，其中n=0或1；当n=0时，R.sub.1为H、烷基、环烷基、环烷基甲基、烯基、炔基、杂环烷基、或可选择取代的苯环；当n=1时，R.sub.1为H或烷基；其中R.sub.2和R.sub.3为H或烷基；其中A为化学式III的基团--(CH.sub.2).sub.x--W--(CH.sub.2).sub.y--，其中W为氧原子或化学式--S(O).sub.m--的基团、化学式--CR.sub.12R.sub.13--的基团、环烷基亚甲基基团或环烷基亚烯基基团；x为0或1至5的整数；y为0或1至5的整数；其中R.sub.4为碳环烷基、杂环烷基、氰基、氨基甲酰基、烷氧羰基、酰胺基、醋酰氧基、羟基、硫醇基，或化学式--OR.sub.20、--SR.sub.20、--SOR.sub.20或SO.sub.2R.sub.20的基团；其中R.sub.5、R.sub.6和R.sub.7为H、卤素、三氟甲基、羟基、烷基、烷氧基或烷硫基、苯基，或R.sub.5和R.sub.6与它们连接的碳原子一起形成可选择取代的第二苯环；其中R.sub.8和R.sub.9为H或含有1至3个碳原子的烷基基团；以及其药学上可接受的盐在抑郁症治疗中具有用途。公开了其制备方法和含有它们的组合物。