1-[5-(三氟甲基)-2-吡啶基]哌嗪 | 132834-58-3

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-[5-(三氟甲基)-2-吡啶基]哌嗪
• 中文别名: 1-[5-(三氟甲基)吡啶-2-基]哌嗪；2-哌嗪基-5-三氟甲基吡啶
• 英文名称: 1-[5-(trifluoromethyl)pyridine-2-yl]piperazine
• 英文别名: 1-(5-trifluoromethyl-pyridin-2-yl)piperazine；1-[5-(trifluoromethyl)pyrid-2-yl]piperazine；1-[5-(trifluoromethyl)-2-pyridyl]piperazine；1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
• CAS: 132834-58-3
• 化学式: C₁₀H₁₂F₃N₃
• mdl: MFCD00114708
• 分子量: 231.221
• InChiKey: BNMSJUIMZULLAS-UHFFFAOYSA-N

物化性质

• 熔点：
  43-46°C
• 沸点：
  122 °C (2 mmHg)
• 密度：
  1.253±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S37/39
• 危险类别码：
  R34
• 海关编码：
  2933990090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P264,P270,P301+P310+P330,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301
• 储存条件：
  存放在阴凉干燥处。

SDS

Name:	1-[5-(Trifluoromethyl)-2-pyridinyl]piperazine Material Safety Data Sheet
Synonym:	None
CAS:	132834-58-3

Section 1 - Chemical Product MSDS Name:1-[5-(Trifluoromethyl)-2-pyridinyl]piperazine Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
132834-58-3	1-[5-(Trifluoromethyl)-2-pyridinyl]pip	98	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye irritation. May cause irreversible eye injury.
Skin:
Causes skin irritation. May cause skin burns. May be harmful if absorbed through the skin.
Ingestion:
May cause burns to the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
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# 132834-58-3: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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 or liquid
Color: pale yellow
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 83 deg C @ 0.1mm Hg
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: C10H12F3N3
Molecular Weight: 231.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 132834-58-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[5-(Trifluoromethyl)-2-pyridinyl]piperazine - 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
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: 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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 132834-58-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 132834-58-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 132834-58-3 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：

  1-[5-(三氟甲基)-2-吡啶基]哌嗪 在 氢氧化钾 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 N-(3-methylene-7-oxo-bicyclo[3.3.1]non-9-yl)-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]isobutyramide
  参考文献：
  名称：

  发现和代谢稳定的和选择性的2-氨基-N-（金刚烷基-2-基）乙酰胺11β-羟基类固醇脱氢酶1型抑制剂。

  摘要：

  从快速代谢的1型金刚烷11β-羟基类固醇脱氢酶（11beta-HSD1）抑制剂22a开始，发现了一系列E-5-羟基-2-金刚烷胺抑制剂，例如22d和（+/-）-22f。与其他报道的物种选择性系列不同，这些化合物中的许多都是11beta-HSD1的有效抑制剂，对多种物种（人，小鼠和大鼠）的选择性都超过11beta-HSD2。这些化合物具有良好的细胞效力和改善的微粒体稳定性。在啮齿动物中的药代动力学分析表明，在22d的大鼠中测得的最大暴露量为中等至大量分布，半衰期短和药代动力学物种差异。给药后一小时，在小鼠离体测定中用（+/-）-22f证实了11beta-HSD1对肝脏，脂肪和脑组织的抑制作用。虽然5 7-二取代-2-金刚烷胺提供了更高的稳定性，一个单一的E-5位极性官能团为抑制剂提供了稳定性，效价和选择性的最佳组合。这些结果表明，已发现足以获得短效，有效和选择性11beta-HSD1抑制剂的金刚烷代谢稳定作用。

  DOI：

  10.1021/jm0609364
• 作为产物：
  描述：

  2-溴-5-(三氟甲基)吡啶 在