N1-[2-(环氧乙烷-2-基甲氧基)苯基]乙酰胺 | 57682-11-8

• 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: N1-[2-(环氧乙烷-2-基甲氧基)苯基]乙酰胺
• 英文名称: 2-(2,3-Epoxypropoxy)acetanilid
• 英文别名: o-(2,3-Epoxypropoxy)acetanilid；N-acetyl-2-(2,3-epoxypropoxy)aniline；N-(2-oxiranylmethoxy-phenyl)-acetamide；Essigsaeure-[2-(2,3-epoxy-propoxy)-anilid]；N-[2-(oxiran-2-ylmethoxy)phenyl]acetamide
• CAS: 57682-11-8
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: SENIMHNFLVMDJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2924299090

SDS

Name:	N1-[2-(Oxiran-2-ylmethoxy)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:	N-Acetyl-2-(2,3-epoxypropoxy)anilin
CAS:	57682-11-8

Section 1 - Chemical Product MSDS Name:N1-[2-(Oxiran-2-ylmethoxy)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:N-Acetyl-2-(2,3-epoxypropoxy)anilin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
57682-11-8	N1-[2-(Oxiran-2-ylmethoxy)phenyl]aceta	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: 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:
Get medical aid. Wash mouth out with 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.
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:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 57682-11-8: 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: Solid
Color: slight pink
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: C11H13NO3
Molecular Weight: 207

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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, bases.
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# 57682-11-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-[2-(Oxiran-2-ylmethoxy)phenyl]acetamide - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 57682-11-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 57682-11-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 57682-11-8 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：

  N1-[2-(环氧乙烷-2-基甲氧基)苯基]乙酰胺 在 甲酸 作用下， 反应 2.0h， 以77%的产率得到2'-(2,3-二羟基丙氧基)乙酰苯胺
  参考文献：
  名称：

  Polyaniline copolymers with solvent-mimic side chains

  摘要：

  ABSTRACTWe investigated new polyaniline copolymers with solvent‐mimic side chains for enhanced processability in various solvents. The solvent‐mimic side chains, benzyloxypropoxy (BOP), phenoxybutoxy (POB), and dihydroxypropoxy (DHP), were introduced into copolymers and used with nonpolar aromatic and polar alcoholic solvents, respectively. Compared to a polyaniline homopolymer, polyaniline copolymers with a small amount of side chains (<4 mol %) exhibit different physical properties, including film‐forming ability. This can be attributed to the solvent‐mimic side chains strongly interacting with the solvent and/or the polyaniline backbone. Especially, in nonpolar aromatic solvents, polyaniline copolymers with nonpolar aromatic BOP and POB side chains exhibit good film‐forming ability leading to high electrical conductivity, while the polyaniline homopolymer did not form a film. Therefore, introducing solvent‐mimic side chains in conducting polymers is a very attractive method of enhancing their processability and physical properties. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 1986–1995

  DOI：

  10.1002/pola.27648
• 作为产物：
  描述：

  邻乙酰氨基酚 、 环氧氯丙烷 在 alkaline solution 作用下， 生成 N1-[2-(环氧乙烷-2-基甲氧基)苯基]乙酰胺
  参考文献：
  名称：

  Beasley et al., Journal of Pharmacy and Pharmacology, 1957, vol. 9, p. 10,14

  摘要：

  DOI：

文献信息

• Novel compounds
  申请人：——

  公开号：US20030144267A1

  公开（公告）日：2003-07-31

  The invention provides compounds of general formula (I) wherein Q, R, R 2 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  这项发明提供了一般式（I）的化合物，其中Q、R、R2、R4、R5、R6、R7和R8如规范中所定义，以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的用途。
• Some Derivatives and Analogues of Mephenesin
  作者：V Petrow、O Stephenson、A M Wild

  DOI：10.1111/j.2042-7158.1960.tb12628.x

  日期：2011.4.12

  The preparation of some miscellaneous types formally related to mephenesin is reported.

  报道了一些与美芬甙形式上相关的杂类的制备。

• Cardioselectivity of .beta.-adrenoceptor blocking agents. 1. 1-[(4-Hydroxyphenethyl)amino]-3-(aryloxy)propan-2-ols
  作者：W. J. Rzeszotarski、R. E. Gibson、W. C. Eckelman、R. C. Reba

  DOI：10.1021/jm00192a022

  日期：1979.6

  yl)amino]-3-(aryloxy)propan-2-ols was synthesized together with several 1-[(3,4-dimethoxyphenethyl)amino]-3-(aryloxy)propan-2-ols. Their affinity to beta 1- and beta-2-adrenoceptors was determined and compared with the affinity of known beta-blockers. We were able to confirm the substantial cardioselectivity of 1-(3,4-dimethoxyphenethyl)-3-[(4-substituted aryl)oxy]propan-2-ols when compared to those

  合成了一系列的1-[（（4-羟基苯乙基）氨基] -3-（芳氧基）丙烷-2-醇和几个1-[（（3,4-二甲氧基苯乙基）氨基] -3-（芳氧基）丙烷-2。 -ols。确定了它们对β1和β2肾上腺素受体的亲和力，并将其与已知β受体阻滞剂的亲和力进行了比较。当与具有1-（4-羟基苯乙基）基团的那些相比时，我们能够确认1-（3,4-二甲氧基苯乙基）-3-[（4-取代的芳基）氧基]丙烷-2-醇的基本心脏选择性。在存在3,4-二甲氧基苯乙基的情况下，3-（芳氧基）部分对己内酰胺基的4个取代基的大小增加导致对大鼠心室肌β1-肾上腺素受体的亲和力大大高于在存在下4-羟基苯乙基或异丙基；这种组合还具有最高的心脏选择性。
• [EN] ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS<br/>[FR] DERIVES ISOTHIAZOLE UTILES EN TANT QU'AGENTS ANTICANCEREUX
  申请人：PFIZER PRODUCTS INC.

  公开号：WO1999062890A1

  公开（公告）日：1999-12-09

  (EN) The present invention relates to compounds of formula (1) and to pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein X1, R1, R2 and R3 are as defined herein. The invention also relates to pharmaceutical compositions containing the above compounds and to methods treating hyperproliferative disorders in mammals by administering the above compounds.(FR) La présente invention concerne des composés correspondant à la formule (1), ainsi que des sels, promédicaments et solvates de ces composés, acceptables sur le plan pharmacologique. Dans cette formule, X1, R1, R2 et R3 possèdent les notations données dans la description. L'invention concerne également des compositions pharmaceutiques contenant les composés ci-dessus, ainsi que des méthodes de traitement de troubles hyperproliférants, chez des mammifères, consistant à administrer les composés ci-dessus.

  (中) 本发明涉及公式（1）的化合物和其药学上可接受的盐、前药和溶剂化物，其中X1、R1、R2和R3如本文所定义。本发明还涉及包含上述化合物的制药组合物以及通过给予上述化合物治疗哺乳动物的增殖过度性疾病的方法。
• Benzimidazol derivatives modulate chemokine receptors
  申请人：——

  公开号：US20040116435A1

  公开（公告）日：2004-06-17

  The invention provides compounds of general formula (I) wherein A, X, m, R 1 , N, R 2 , Z 1 , Z 2 , Q, R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , t and R 16 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy. 1

  本发明提供了一般式（I）的化合物，其中A、X、m、R1、N、R2、Z1、Z2、Q、R3、R4、R5、R6、R7、R8、t和R16如规范中所定义，其制备过程、包含它们的制药组合物以及它们在治疗中的使用。