1,4,8,11-四(乙氧碳酰甲基)-1,4,8,11-四氮环十四烷 | 126320-57-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,4,8,11-四(乙氧碳酰甲基)-1,4,8,11-四氮环十四烷
• 中文别名: 1,4,8,11-四(乙氧碳酰甲基)-1,4,8,12-四氮环十四烷；1,4,8,11-四(乙氧基羰基甲基)-1,4,8,11-四氮杂环十四烷；1,4,8,11-四氮杂环十四烷-1,4,8,11-四乙酸四乙酯；四1,4,8,11-四氮杂环十四烷-1,4,8,11-四乙酰
• 英文名称: tetraethyl 4,4',4",4"'-(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetrabenzoate
• 英文别名: Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate；ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
• CAS: 126320-57-8
• 化学式: C₂₆H₄₈N₄O₈
• 分子量: 544.689
• InChiKey: HGPDBLIYOCNCEH-UHFFFAOYSA-N

物化性质

• 熔点：
  87-89°C
• 稳定性/保质期：
  如果遵照规格使用和储存，则不会分解，未有已知危险反应。应避免与氧化物、水分等接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  38
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  12

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319
• 储存条件：
  请将贮藏器密封保存，并存放在阴凉、干燥处。同时，确保工作环境具有良好的通风或排气设施。

SDS

Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11- Revision number: 5
tetraacetate
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate
Components:
Percent: >97.0%(GC)
126320-57-8
CAS Number:
Synonyms: 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic Acid Tetraethyl Ester
Chemical Formula: C26H48N4O8

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention if you feel unwell.
1,4,8,11-tetraacetate

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Very pale yellow
1,4,8,11-tetraacetate

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Odour: No data available
pH: No data available
Melting point/freezing point:87°C
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not listed
UN-No:
1,4,8,11-tetraacetate

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,4,8,11-四(乙氧碳酰甲基)-1,4,8,11-四氮环十四烷 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 1,4,8,11-四氮杂四环甘蔗-1,4,8,11-四乙酸
  参考文献：
  名称：

  新型 Tetrakis N-取代四氮杂大环的合成

  摘要：

  摘要 实现了新型四氮杂四氮杂大环化合物的合成。在四酰氨基类似物的情况下，最好的产率是通过在双相系统中使用 Schotten-Bauman 反应类型获得的。在四-N-ω 烷基羧酸酯的情况下，描述了导致所需四N-取代衍生物的最佳实验条件。

  DOI：

  10.1080/00397919808005724
• 作为产物：
  描述：

  1,4,8,11-四氮杂环十四烷 、 溴乙酸乙酯 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以60%的产率得到1,4,8,11-四(乙氧碳酰甲基)-1,4,8,11-四氮环十四烷
  参考文献：
  名称：

  新型 Tetrakis N-取代四氮杂大环的合成

  摘要：

  摘要 实现了新型四氮杂四氮杂大环化合物的合成。在四酰氨基类似物的情况下，最好的产率是通过在双相系统中使用 Schotten-Bauman 反应类型获得的。在四-N-ω 烷基羧酸酯的情况下，描述了导致所需四N-取代衍生物的最佳实验条件。

  DOI：

  10.1080/00397919808005724

文献信息

• Perkin communications. Amide-armed azamacrocycles as a new series of synthetic carriers for alkali and alkaline earth metal cations
  作者：Hiroshi Tsukube、Hayamitsu Adachi、Shiro Morosawa

  DOI：10.1039/p19890001537

  日期：——

  Novel azamacrocycles having amide-functionalized arm groups have been shown to mediate selective and efficient transport of ‘hard’ alkali and alkaline earth metal cations via three-dimensional complexations, while the parent azamacrocycles favour ‘soft’ metal cations.

  已显示具有酰胺官能化的臂基的新型氮杂大环化合物可通过三维络合介导“硬”碱金属和碱土金属阳离子的选择性和有效转运，而母体氮杂大环化合物偏爱“软”金属阳离子。
• A convenient, novel approach for the synthesis of polyaza macrocyclic bifunctional chelating agents
  作者：Anil Kumar Mishra、Karine Draillard、Alain Faivre-Chauvet、Jean François Gestin、Chantal Curtet、Jean-François Chatal

  DOI：10.1016/0040-4039(96)01727-3

  日期：1996.10

  The convenient, synthetically useful bifunctional chelating agents, (10-p-aminobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetate (p-ABz-DO3A) 3 and (11-p-aminobenzyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-triacetate (p-ABz-TE3A) 6, were obtained by reaction of an ethyl bromoacetate with 1,4,7,10-tetraazacyclododecane and 1,4,8,11-tetraazacyclotetradecane followed by reaction with nitrobenzyl

  方便，合成上有用的双功能螯合剂（10-对氨基苄基）-1,4,7,10-四氮杂环十二烷-1,4,7-三乙酸酯（p-ABz-DO3A）3和（11-对氨基苄基） -1,4,8,11-四氮杂环十四烷-1,4,8-三乙酸酯（p-ABz-TE3A）6是通过溴乙酸乙酯与1,4,7,10-四氮杂环十二烷和1,4的反应制得的8,11-四氮杂环十四烷，然后与硝基苄基溴反应。事实证明，该方法比文献中的任何方法更有效，因为从四氮杂大环化合物开始的两步合成序列的总产率为68％。
• Synthesis of macrocyclic bifunctional chelating agents: 1,4,7-tris(carboxymethyl)-10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecane and 1,4,8-tris(carboxymethyl)-11-(2-aminoethyl)-1,4,8,11-tetraazacyclotetradecane
  作者：A. K. Mishra、Jean-François Chatal

  DOI：10.1039/b006978g

  日期：——

  The convenient, synthetically useful bifunctional chelating agents, 1,4,7-tris(carboxymethyl)-10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecane and 1,4,8-tris(carboxymethyl)-11-(2-aminoethyl)-1,4,8,11-tetraazacyclotetradecane, were obtained by reaction of ethyl bromoacetate with 1,4,7,10-tetraazacyclododecane and 1,4,8,11-tetraazacyclotetradecane, followed by reaction with N-(2-bromoethyl)phthalimide. This method is proven to be more efficient to prepare bifunctional chelating agents with aliphatic side arms in high yields, above 53%.

  方便且具有合成实用性的双功能螯合剂1,4,7-三（羧甲基）-10-（2-氨基乙基）-1,4,7,10-四氮杂环十二烷和1,4,8-三（羧甲基）-11-（2-氨基乙基）-1,4,8,11-四氮杂环十四烷是通过乙基溴乙酸酯与1,4,7,10-四氮杂环十二烷和1,4,8,11-四氮杂环十四烷反应获得的，随后与N-（2-溴乙基）邻苯二甲酰亚胺反应。该方法被证明能够更高效地制备带有脂肪族侧基的双功能螯合剂，产率超过53%。
• 피부 외피용 조성물
  申请人：FNG RESEARCH CO., LTD. (주) 에프엔지리서치(120100536721) Corp. No ▼ 150111-0131792BRN ▼301-86-05203

  公开号：KR101851981B1

  公开（公告）日：2018-04-25

  본 발명은 하기 화학식 1로 표시되는 트리엔틴 또는 트리엔틴 유도체, 하기 화학식 2로 표시되는 사이클렌 또는 사이클렌 유도체, 하기 화학식 3으로 표시되는 사이클람 또는 사이클람 유도체 중에서 선택된 1종 이상을 유효성분으로 하는, 피부 외피용 조성물을 제공한다. [화학식 1] [화학식 2] [화학식 3] (상기 식들에서, R, R, R, R, R 및 R은 각각 독립적으로 수소, -R-COOH 또는 이들의 염이고, R은 C~C의 지방족, 치환되거나 치환되지 않은 방향족 고리, 또는 복소환 6원자 또는 5원자 고리이다.)

  本发明提供一种皮肤外用组合物，其以选择自下述化学式1所示的三烯烃或三烯烃衍生物、自下述化学式2所示的环戊烯或环戊烯衍生物、以及自下述化学式3所示的环己烯或环己烯衍生物中选择的一种或多种作为有效成分。[化学式1] [化学式2] [化学式3]（在上述式中，R，R，R，R，R和R分别独立地表示氢，-R-COOH或其盐，R表示C-C的脂肪族，取代或未取代的芳香环，或复杂的6元素或5元素环。）
• MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID
  申请人：Rascalou Frederic

  公开号：US20100059446A1

  公开（公告）日：2010-03-11

  Material composed of a polyazacycloalkane grafted on polypropylene fibres. Process for the preparation of this material. Process for removing metal cations present in a liquid by bringing this liquid into contact with the said material.

  由聚丙烯纤维嫁接的聚氮杂环烷组成的材料。制备该材料的方法。将含有金属阳离子的液体与所述材料接触以去除其中的金属阳离子的方法。