1-甲基-4-(4-哌啶基)哌嗪 | 53617-36-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 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-甲基-4-(4-哌啶基)哌嗪
• 中文别名: 1-甲基-4-(哌啶基-4-YL)哌嗪；AP26113中间体2；1-甲基-4-(哌啶-4-基)哌嗪；1-甲基-4-(哌啶基)哌嗪；1-甲基-4-(哌啶-4-基)哌嗪(盐酸盐)；1-甲基-4-(4-哌啶基)哌嗪,98%
• 英文名称: 1-methyl-4-(piperidin-4-yl)piperazine
• 英文别名: 1-methyl-4-(4-piperidinyl)-piperazine；1-methyl-4-(4-piperidyl)piperazine；4-(1-methylpiperazin-4-yl)piperidine；1-methyl-4-(piperidine-4-yl)piperazine；1-methyl-4-piperidin-4-ylpiperazine
• CAS: 53617-36-0
• 化学式: C₁₀H₂₁N₃
• 分子量: 183.297
• InChiKey: MRYYJGQKVGZGSB-UHFFFAOYSA-N

物化性质

• 熔点：
  53-56°C
• 沸点：
  261℃
• 密度：
  0.992
• 闪点：
  114℃
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，目前没有已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 危险品标志：
  Xi
• 海关编码：
  2933599090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P264,P270,P280,P303+P361+P353,P304+P340,P305+P351+P338,P310,P330,P331,P363,P403,P501
• 危险品运输编号：
  2735
• 危险性描述：
  H314,H302+H312
• 储存条件：
  请将贮藏器保持密封，并存放在阴凉、干燥处。同时，确保工作环境具备良好的通风或排气设施。

SDS

Name:	1(1-Methylpiperidin-4-yl)piperazine Material Safety Data Sheet
Synonym:
CAS:	53617-36-0

Section 1 - Chemical Product MSDS Name:1(1-Methylpiperidin-4-yl)piperazine Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
53617-36-0	1(1-Methylpiperidin-4-yl)piperazine		unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. 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 dry chemical or foam.

---

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.

---

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 nitrogen.

---

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# 53617-36-0: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Oil
Color: pale-yellow
Odor: amine-like
pH: >7
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 100 deg C
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: almost insoluble
Specific Gravity/Density:
Molecular Formula: C10H21N3
Molecular Weight: 183.3

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, prolonged exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents, carbon dioxide.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 53617-36-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1(1-Methylpiperidin-4-yl)piperazine - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 53617-36-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 53617-36-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53617-36-0 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-甲基-4-(4-哌啶基)哌嗪 在 palladium 10% on activated carbon 、 氢气 、 甲酸铵 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 25.0~50.0 ℃ 、100.0 kPa 条件下， 反应 34.0h， 生成 ASP 3026; N2-[2-甲氧基-4-[4-(4-甲基-1-哌嗪基)-1-哌啶基]苯基]-N4-[2-[(1-甲基乙基)磺酰基]苯基]-1,3,5-三嗪-2,4-二胺
  参考文献：
  名称：

  有效和选择性的间变性淋巴瘤激酶（ALK）抑制剂ASP3026的改进的生产路线和多态控制。

  摘要：

  描述了我们为改进间变性淋巴瘤激酶（ALK）抑制剂ASP3026（1）所做出的努力。由于起始原料从2,4-二氯-1,3,5-三嗪（6）变为氰尿酰氯（9）的后期转化，从而实现了1的经济高效且实用的合成。中间体酮13的还原胺化反应生成高反应性的N-甲基哌嗪部分。经过改进的工艺避免了原始合成方法带来的挑战，并为数百公斤的高质量API提供了高经济效率，可操作性和可重复性。此外，还讨论了第二代合成途径中多晶型控制的研究顺序，以获得热力学上期望的，最稳定的多晶型形式A04。

  DOI：

  10.1021/acs.oprd.8b00427
• 作为产物：
  描述：

  N-苄基哌啶酮 在 palladium on activated charcoal 、 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、500.01 kPa 条件下， 反应 5.0h， 生成 1-甲基-4-(4-哌啶基)哌嗪
  参考文献：
  名称：

  2-氨基-4-取代吡啶衍生物及其合成方法和应 用

  摘要：

  本发明公开了一种2‑氨基‑4‑取代吡啶衍生物及其合成方法和应用。该衍生物的结构通式为具有该结构的化合物，或其药学可接受的盐、水合物、溶剂合物、多晶型物、互变异构体、立体异构、同位素衍生物或前药具有较高的EGFR抑制活性，对人表皮细胞癌细胞以及胶质母细胞瘤细胞等具有较强的抑制活性，可用于制备治疗和/或预防和/或延缓和/或辅助治疗和/或处理与EGFR活性过高相关的疾病的药物。

  公开号：

  CN110041302B

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• Substituted Indole Compounds
  申请人：Schunk Stefan

  公开号：US20100222324A1

  公开（公告）日：2010-09-02

  Substituted indole compounds corresponding to the formula I: In which R 8 , R 9a , R 9b , R 10 , R 11 , R 200 , R 210 , A, D, T, q, s and t have defined meanings, processes for the preparation thereof, pharmaceutical compositions containing such compounds and the use of substituted indole compounds for the treatment or inhibition of pain and other conditions which are at least partly mediated by Bradykinin 1 receptors (B1R).

  将与下式I对应的吲哚化合物替代： 其中R8、R9a、R9b、R10、R11、R200、R210、A、D、T、q、s和t具有定义的含义，其制备方法，含有这种化合物的药物组合物以及用于治疗或抑制至少部分由Bradykinin 1受体（B1R）介导的疼痛和其他病症的替代吲哚化合物的用途。
• SUBSTITUTED SULFONAMIDE COMPOUNDS
  申请人：OBERBOERSCH Stefan

  公开号：US20080153843A1

  公开（公告）日：2008-06-26

  Substituted sulfonamide derivatives, a process for their preparation, pharmaceutical compositions containing these compounds, and to the use of substituted sulfonamide derivatives in the treatment or inhibition of pain and/or various disorders or disease states.

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。
• [EN] SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS<br/>[FR] TÉTRAHYDROAZOLOPYRAZINES SULFONYLÉES ET LEUR UTILISATION EN TANT QUE PRODUITS MÉDICAMENTEUX
  申请人：GRUENENTHAL GMBH

  公开号：WO2010099938A1

  公开（公告）日：2010-09-10

  The present invention relates to sulfonylated tetrahydroazolopyrazines, methods for the preparation thereof, medicinal products containing these compounds and the use of substituted indole compounds for the preparation of medicinal products (Formula I).

  本发明涉及磺酰化四氢咯啉吡嗪，其制备方法，含有这些化合物的药物产品以及用于制备药物产品的取代吲哚化合物的使用（式I）。
• Novel pyridine derivative and pyrimidine derivative
  申请人：Matsushima Tomohiro

  公开号：US20050277652A1

  公开（公告）日：2005-12-15

  A compound represented by the following formula, a salt thereof or a hydrate of the foregoing has an excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity and cancer metastasis inhibitory activity. [R 1 represents C 1-6 alkyl or the like; R 2 and R 3 represent hydrogen; R 4 , R 5 , R 6 , and R 7 may be the same or different and each represents hydrogen, halogen, C 1-6 alkyl or the like; R 8 represents hydrogen or the like; R 9 represents C 1-6 alkyl or the like; V 1 represents oxygen or the like; V 2 represents oxygen or sulfur; W represents —NH— or the like; X represents —CH═, nitrogen or the like; and Y represents oxygen or the like.]

  以下化合物的分子式，其盐或前述水合物具有出色的肝细胞生长因子受体（HGFR）抑制活性，并表现出抗肿瘤活性、抑制血管生成活性和抑制癌转移活性。 [R 1 代表C 1-6 烷基或类似物；R 2 和R 3 代表氢；R 4 ，R 5 ，R 6 和R 7 可以相同也可以不同，每个代表氢、卤素、C 1-6 烷基或类似物；R 8 代表氢或类似物；R 9 代表C 1-6 烷基或类似物；V 1 代表氧或类似物；V 2 代表氧或硫；W代表—NH—或类似物；X代表—CH═、氮或类似物；Y代表氧或类似物。]