2-乙基-2-苯基丙二酰胺 | 7206-76-0

• 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-乙基-2-苯基丙二酰胺
• 英文名称: 2-ethyl-2-phenylmalonamide
• 英文别名: Phenylethylmalonamide；ethyl(phenyl)malonamide；phenylethylmalondiamide；PEMA；ethyl-phenyl-malonic acid diamide；2-ethyl-2-phenylpropanediamide
• CAS: 7206-76-0
• 化学式: C₁₁H₁₄N₂O₂
• mdl: MFCD00008012
• 分子量: 206.244
• InChiKey: JFZHPFOXAAIUMB-UHFFFAOYSA-N

物化性质

• 熔点：
  120°C
• 沸点：
  440.9±45.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)
• 闪点：
  113 °C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 物理描述：
  2-phenyl-2-ethylmalondiamide is a white crystalline solid. (NTP, 1992)
• 保留指数：
  1935
• 稳定性/保质期：

  稳定，具有可燃性，与强氧化剂不相容。

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 储存条件：
  | 冰箱 |

SDS

Name:	2-Ethyl-2-Phenylmalonamide Monohydrate 99% Material Safety Data Sheet
Synonym:	None
CAS:	7206-76-0

Section 1 - Chemical Product MSDS Name:2-Ethyl-2-Phenylmalonamide Monohydrate 99% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7206-76-0	2-Ethyl-2-Phenylmalonamide Monohydrate	99	230-583-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
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:

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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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7206-76-0: 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:
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: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 120 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H14N2O2.H2O
Molecular Weight: 224.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7206-76-0: RY0820000 LD50/LC50:
Not available.
Carcinogenicity:
2-Ethyl-2-Phenylmalonamide Monohydrate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 7206-76-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7206-76-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7206-76-0 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-乙基-2-苯基丙二酰胺 在 formamide 作用下， 生成 扑米酮
  参考文献：
  名称：

  US2637730

  摘要：

  公开号：
• 作为产物：
  描述：

  苯巴比妥 在 sodium hydroxide 作用下， 生成 2-乙基-2-苯基丙二酰胺
  参考文献：
  名称：

  Fretwurst, Arzneimittel-Forschung/Drug Research, 1958, vol. 8, p. 44,46

  摘要：

  DOI：

文献信息

• Auf das Zentralnervensystem wirkende Substanzen XV. Über Azetidin-2,4-Dione (Malonimide)
  作者：Emilio Testa、Luigi Fontanella、Gian Franco Cristiani、Luigi Mariani

  DOI：10.1002/hlca.19590420709

  日期：——

  Durch Einwirkung von Thionylchlorid und Pyridin auf α,α-disubstituierte Malonsäurehalbamide ist eine Reihe am Stickstoffatom unsubstituierter Azetidin-2,4-dione (Malonimide) dargestellt worden. Als besonders interessant erweisen sich die unerwartete Säurebeständigkeit der neuen Verbindungen sowie ihre Reduktion mit Lithiumaluminiumhydrid zu 3,3-disubstituierten Azetidinen.

  亚硫酰氯和吡啶对α，α-二取代的丙二酸半酰胺的作用产生了一系列氮原子上未被取代的氮杂环丁烷-2,4-二酮（丙二酰亚胺）。新化合物出乎意料的耐酸性以及将其用氢化锂铝还原为3,3-二取代的氮杂环丁烷特别令人感兴趣。
• PRIMIDONE PROCESS AND COMPOSITIONS
  申请人：Sajja Eswaraiah

  公开号：US20070149779A1

  公开（公告）日：2007-06-28

  The present invention relates to a process for the preparation of primidone. It also relates to compositions comprising primidone of desired particle size distribution, processes for the preparation of such particles and processes for the preparation of the compositions.

  本发明涉及一种制备普鲁米酮的方法。它还涉及包含所需粒度分布的普鲁米酮的组合物，制备这些粒子的过程以及制备这些组合物的过程。
• TRANSDERMAL ADMINISTRATION OF MENT
  申请人：——

  公开号：US20020012694A1

  公开（公告）日：2002-01-31

  The present invention relates to transdermal dosage forms for delivery of androgens.

  本发明涉及用于递送雄激素的经皮剂量形式。
• 一种2-苯基-2-氰基丁酰胺的制备方法
  申请人：精华制药集团南通有限公司

  公开号：CN108586287A

  公开（公告）日：2018-09-28

  一种2‑苯基‑2‑氰基丁酰胺的制备方法，制备方法为：将极性溶剂在冰水浴中降温，滴加脱水剂，滴加完毕分次加入苯基乙基丙二酰胺，进行脱水反应，反应完毕将反应液缓慢加入到冰水中，边加边搅拌，加完后继续搅拌1h，析出白色固体，白色固体经过滤、水洗、抽干后得到2‑苯基‑2‑氰基丁酰胺粗品；向粗品中加入有机溶剂，加热溶解，溶清后活性炭脱色回流，热过滤，母液自然降温，再冰浴冷却，析出白色针状晶体，得到2‑苯基‑2‑氰基丁酰胺；其合成路线为：。本发明的优点在于：本发明提供了一种路线短，后处理简单，便于操作的制备2‑苯基‑2‑氰基丁酰胺的方法，作为扑米酮杂质D，为扑米酮的质量控制提供合格的对照品，所得产品纯度较高HPLC达到98%以上，可应用于对照品研究。
• Treatment of non-convulsive seizures in brain injury using G-2-methyl-prolyl glutamate
  申请人：Gluckman David Peter

  公开号：US20060251649A1

  公开（公告）日：2006-11-09

  Aspects of this invention include the use of G-2MePE to treat patients with brain injury characterized by non-convulsive seizures. G-2MePE is useful in treating brain injuries caused by traumatic brain injury, stroke, hypoxia/ischemia and toxic injury.

  这项发明的方面包括使用G-2MePE来治疗患有非惊厥性癫痫的脑损伤患者。G-2MePE在治疗因创伤性脑损伤、中风、缺氧/缺血和毒性损伤引起的脑损伤方面很有用。

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