1,4-双(2-羟基乙基)哌嗪 | 122-96-3

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: 1,4-双(2-羟基乙基)哌嗪
• 中文别名: N,N'-Bis(2-羟基乙基)哌嗪；1,4-双(2-羟氧基)对二氮乙环乙烷；N,N'-二羟乙基哌嗪；N,N'-双(2-羟乙基)哌嗪；1,4-双(2-羟乙基)哌嗪；1,4-二(2-羟乙基)哌嗪
• 英文名称: 1,4-bis(2-hydroxyethyl)piperazine
• 英文别名: 2,2'-piperazine-1,4-diyl-bis-ethanol；1,4-Piperazinediethanol；2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
• CAS: 122-96-3
• 化学式: C₈H₁₈N₂O₂
• mdl: MFCD00006157
• 分子量: 174.243
• InChiKey: VARKIGWTYBUWNT-UHFFFAOYSA-N

物化性质

• 熔点：
  133.5-136 °C(lit.)
• 沸点：
  215-220 °C50 mm Hg(lit.)
• 密度：
  1.097
• 闪点：
  166℃
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• LogP：
  -1.92 at 20℃
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险品运输编号：
  OTH
• WGK Germany：
  3
• RTECS号：
  TL3675000
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温

SDS

Name:	N,N'-Bis(2-Hydroxyethyl)piperazine, 99% Material Safety Data Sheet
Synonym:	N,N'-Piperazinediethanol.
CAS:	122-96-3

Section 1 - Chemical Product MSDS Name: N,N'-Bis(2-Hydroxyethyl)piperazine, 99% Material Safety Data Sheet
Synonym: N,N'-Piperazinediethanol.

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
122-96-3	N,N'-Bis(2-Hydroxyethyl)piperazine	99%	204-586-0

Hazard Symbols: XI
Risk Phrases: 36/37/38

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of 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:
Immediately 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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 122-96-3: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 215-220 deg C@50mmH
Freezing/Melting Point: 134-137 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: C8H18N2O2
Molecular Weight: 174.1382

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong acids, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 122-96-3: TL3675000
LD50/LC50:
CAS# 122-96-3: Oral, rat: LD50 = 3730 uL/kg; Skin, rabbit: LD50 = >10 mL/kg.
Carcinogenicity:
N,N'-Bis(2-Hydroxyethyl)piperazine - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 122-96-3: No information available. Canada CAS# 122-96-3 is listed on Canada's DSL List. CAS# 122-96-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 122-96-3 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 11/18/1999 Revision #3 Date: 1/28/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,4-双(2-羟基乙基)哌嗪 在 氢气 作用下， 以 水 为溶剂， 180.0 ℃ 、2.0 MPa 条件下， 生成 哌嗪
  参考文献：
  名称：

  一种催化加氢制备哌嗪或烷基哌嗪的方法

  摘要：

  本发明公开了一种催化加氢制备哌嗪或烷基哌嗪的方法，包括：原料二羟乙基哌嗪或/和羟乙基哌嗪在催化剂作用下进行催化加氢反应，后处理得到哌嗪或/和烷基哌嗪；所述的催化剂中，活性成分为Cu、Ni、Co中的一种或多种。本发明采用二羟乙基哌嗪或羟乙基哌嗪为原料，通过催化加氢制备哌嗪或烷基哌嗪，提供了一条全新的哌嗪或烷基哌嗪的合成工艺；同时可通过该方法实现对含有二羟乙基哌嗪或羟乙基哌嗪废液或者副产物的回收利用；另外，通过现有的方法可实现产品中烷基哌嗪的分离，进一步提高了产品的价值，降低了制备成本。

  公开号：

  CN104496939B
• 作为产物：
  描述：

  二乙醇胺 以 水 为溶剂， 反应 6.0h， 以the content of N,N′-bis (2-hydroxyethyl) piperazine that is obtained by chromatographic analysis的产率得到1,4-双(2-羟基乙基)哌嗪
  参考文献：
  名称：

  Composition that can be used as an emulsifying and dispersing surface agent and its production process

  摘要：

  以下内容描述如下：一种由单聚、二聚、三聚和/或四聚脂肪酸衍生的酰胺、胺、酯酰胺、酯胺、胺盐和单甘酯混合物组成的配方；一种生产该配方的工艺，其中包括将热聚合的多不饱和植物油与至少一种氨基醇的过量进行转酰胺反应，可以有或没有催化剂的存在；以及该配方的用途，特别是作为乳化剂，可以根据油的性质形成油在水中或水在油中的乳液，作为固体分散剂，或作为液体或乳液中泡沫稳定剂。

  公开号：

  US06221920B1
• 作为试剂：
  描述：

  亚叶酸 在 1,4-双(2-羟基乙基)哌嗪 、 5,10-methenyltetrahydrofolate synthetase 、 MgATP 、 2-巯基乙醇 作用下， 生成 5,10-methylidyne-5,6,7,8-tetrahydrofolic acid
  参考文献：
  名称：

  鸡肝中5,10-甲基四氢叶酸合成酶的纯化与鉴定

  摘要：

  다있었。다。ATP，Kg，MgATP，MgCTP，MgUTP和MgGTP，以及MgATP和其他产品。用四硝基met烷（1-硝基-3-（3-二甲基氨基丙基）-碳二亚胺），酪氨酸和羧酸盐进行脱硫。产品名称：5,10-甲基四氢叶酸合成酶，간，대사，테트라니트로메탄，1-乙基-3-（3-二甲基氨基丙基）-碳二亚胺摘要。通过30-70％硫酸铵分级分离，Q Sepharose Fast Flow阴离子交换和Source 15Phe疏水作用色谱法纯化来自鸡肝的5,10-甲基四氢叶酸合成酶。细胞提取物，硫酸铵，Q Sepharose Fast Flow和Source 15Phe的比活分别为0.0085、0.031、0.80和1.27 U / mg。细胞提取物，硫酸铵，Q Sepharose Fast Flow和Source 15Phe的纯化折叠活性分别为1，分别为3.7、94.1和149.4。HPLC凝胶

  DOI：

  10.5012/jkcs.2010.54.5.567

文献信息

• PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF
  申请人：ANDERSON MARK B.

  公开号：US20100068197A1

  公开（公告）日：2010-03-18

  Disclosed are compounds of Formula I effective as cytotoxic agents. The compounds of this invention are useful in the treatment of a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  揭示的是作为细胞毒性剂有效的I式化合物。本发明的化合物在治疗多种临床病况中是有用的，这些病况中发生异常细胞的不受控制的生长和扩散。
• Iodinated Choline Transport-Targeted Tracers
  作者：Pavel Švec、Zbyněk Nový、Jan Kučka、Miloš Petřík、Ondřej Sedláček、Martin Kuchař、Barbora Lišková、Martina Medvedíková、Kristýna Kolouchová、Ondřej Groborz、Lenka Loukotová、Rafał Ł. Konefał、Marián Hajdúch、Martin Hrubý

  DOI：10.1021/acs.jmedchem.0c01710

  日期：2020.12.24

  theranostics for diseases accompanied by pathological function of proteins involved in choline transport. Unlike choline analogues labeled with 11C or 18F that are currently used in the clinic, the iodinated compounds described herein are applicable in positron emission tomography, single-photon emission computed tomography, and potentially in therapy, depending on the iodine isotope selection. Moreover

  我们提出了一系列新颖的放射性碘示踪剂和潜在的疾病治疗学，伴随着胆碱转运蛋白的病理功能。与临床上当前使用的标有11 C或18 F的胆碱类似物不同，本文所述的碘化化合物可根据碘同位素选择，应用于正电子发射断层扫描，单光子发射计算机断层扫描以及潜在地用于治疗。而且，碘同位素的有利半衰期导致通过同位素交换反应的具有挑战性的合成要少得多。所描述的化合物中有六个是纳摩尔配体，最佳化合物的亲和力比胆碱高100倍。125的生物分布数据用I标记的人类前列腺癌（PC-3）小鼠配体显示了两种化合物，其生物分布特征优于[ 18 F]氟胆碱。
• [EN] ANTIOXIDANT CAMPTOTHECIN DERIVATIVES AND ANTIOXIDANT ANTINEOPLASTIC NANOSPHERES THEREOF<br/>[FR] DÉRIVÉS ANTIOXYDANTS DE LA CAMPTOTHÉCINE ET LEURS NANOSPHÈRES ANTIOXYDANTES ANTINÉOPLASIQUES
  申请人：CEDARS SINAI MEDICAL CENTER

  公开号：WO2010060098A1

  公开（公告）日：2010-05-27

  The present invention is directed to antioxidant derivatives of camptothecin and antioxidant derivatives of camptothecin analogs and the preparation of nanometer-sized camptothecin prodrugs. Methods of synthesizing the antioxidant derivatives of camptothecin and antioxidant derivatives of camptothecin analogs, spontaneous emulsification or nanoprecipitation thereof to produce antioxidant camptothecin nanosphere prodrugs and their use in treating cancerous diseases are also provided. A further aspect of this invention is the use of these antioxidant camptothecin nanosphere prodrugs for the preparation of delivery devices of other pharmaceuticals and/or drugs.

  本发明涉及喜树碱的抗氧化衍生物、喜树碱类似物的抗氧化衍生物以及纳米级喜树碱前药的制备。还提供了合成喜树碱的抗氧化衍生物和喜树碱类似物的抗氧化衍生物的方法，以及通过自发乳化或纳米沉淀制备抗氧化喜树碱纳米球前药，并将其用于治疗癌症疾病的方法。本发明的另一个方面是利用这些抗氧化喜树碱纳米球前药制备其他药物的输送装置。
• [EN] 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES<br/>[FR] DERIVES DE 2,3,6-TRISUBSTITUE 4-PYRIMIDONE
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2004085408A1

  公开（公告）日：2004-10-07

  A pyrimidone derivative having tau protein kinase 1 inhibitory activity which is represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof; useful for prventive and/or therapeutic treatment of diseass such as neurodegenerative diseases (e.g. Alzheimer disease); wherein Q represents CH or nitrogen atom; R represents a C1-C12 alkyl group; the ring of Formula (I): represents piperazine ring or piperidine ring; each X independently represents a C1-C8 alkyl group, an optionally partially hydrogenated C6-C10 aryl ring, an indan ring or the like; m represents an integer of 1 to 3; each Y independently represents a halogen atom, a hydroxy group, a cyano group, a C1-C6 alkyl group or the like; n represents an integer of 0 to 8; when X and Y or two Y groups are attached on the same carbon atom, they may combine to each other to form a C2-C6 alkylene group.

  一种具有tau蛋白激酶1抑制活性的嘧啶酮衍生物，其由化学式（I）或其盐、溶剂合物或水合物表示；用于预防和/或治疗神经退行性疾病（例如阿尔茨海默病）；其中Q代表CH或氮原子；R代表C1-C12烷基基团；化学式（I）的环：代表哌嗪环或哌啶环；每个X独立地代表C1-C8烷基基团、可选择性部分氢化的C6-C10芳环、茚环或类似物；m代表1到3的整数；每个Y独立地代表卤素原子、羟基、氰基、C1-C6烷基基团或类似物；n代表0到8的整数；当X和Y或两个Y基团连接在同一碳原子上时，它们可以结合形成C2-C6烷基基团。
• PROCESS FOR PREPARING DI-, TRI- AND POLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION
  申请人：SCHAUB Thomas

  公开号：US20120232293A1

  公开（公告）日：2012-09-13

  Process for preparing primary amines which have at least one functional group of the formula (—CH 2 —NH 2 ) and at least one further primary amino group by alcohol amination of starting materials having at least one functional group of the formula (—CH 2 —OH) and at least one further functional group (—X), where (—X) is selected from among hydroxyl groups and primary amino groups, by means of ammonia with elimination of water, wherein the reaction is carried out homogeneously catalyzed in the presence of at least one complex catalyst comprising at least one element selected from groups 8, 9 and 10 of the Periodic Table and also at least one donor ligand.

  通过醇胺化起始物质制备至少具有一个功能基团（—CH2—NH2）和至少一个进一步的初级氨基基团的初级胺的过程，其中起始物质至少具有一个功能基团（—CH2—OH）和至少一个进一步的功能基团（—X），其中（—X）从羟基和初级氨基中选择，通过氨与水的消除，反应在至少包含来自周期表8、9和10族中选择的至少一个元素以及至少一个给体配体的至少一个复合催化剂的存在下均匀催化进行。

表征谱图