1,4,7,10-四氮环十四烷 | 295-14-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,4,7,10-四氮环十四烷
• 中文别名: 1,4,7,10-四氮杂环十三烷；1,4,7,1-四氮环十四烷
• 英文名称: 1,4,7,10-tetraazacyclotridecane
• 英文别名: 1,4,7,10-tetrazacyclotridecane
• CAS: 295-14-7
• 化学式: C₉H₂₂N₄
• mdl: MFCD06410986
• 分子量: 186.3
• InChiKey: LADZJJOUGVGJHM-UHFFFAOYSA-N

物化性质

• 熔点：
  143 °C
• 沸点：
  300.5±10.0 °C(Predicted)
• 密度：
  0.867±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

SDS

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Section 1: Product Identification
Chemical Name: 1,4,7,10-Tetraazacyclotridecane, min. 98%
CAS Registry Number: 295-14-7
Formula: C9H22N4
EINECS Number: none
Chemical Family: organic amine
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 295-14-7 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract
Primary Routes of Exposure: Inhalation, skin, eyes
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes irritation to the skin
Inhalation: Causes irritation to the nose, mucous membranes and respiratory tract
Ingestion: No information on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract
Chronic Health Affects: No information available on long-term chronic effects
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry chemical or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire, this material may emit irritating organic fumes
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards

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SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
Spill and Leak Procedures:
swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep in a cool, dry place.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: white to yellow powder
Molecular Weight: 186.30
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: not determined
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: oxidizing agents
Decomposition Products: carbon dioxide, carbon monoxide, nitrogen oxides and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files
Carcinogenic Effects: No data
Mutagenic Effects: No data
Tetratogenic Effects: No data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Title compound not listed
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,4,7,10-四氮环十四烷 在 六甲基磷酰三胺 作用下， 生成 octahydro-2a,4a,6a,9a-tetraaza-9bλ⁵-phospha-pentaleno[1,6-cd]indene
  参考文献：
  名称：

  Polyaminophosphoranes III. P(III) - P(V) Tautomerism in four nitrogen cage phosphoranes

  摘要：

  DOI：

  10.1016/s0040-4039(01)85835-4
• 作为产物：
  描述：

  三乙烯四胺 在 盐酸 、 caesium carbonate 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 57.0h， 生成 1,4,7,10-四氮环十四烷
  参考文献：
  名称：

  环己二酮双胺作为 Cyclen、Homocyclen 和 Cyclam 合成的中间体

  摘要：

  摘要 基于将合适的线性四胺与环己二酮缩合得到的双胺中间体的二溴或二甲苯磺酰氧基衍生物进行环化反应，提出了一种新的易于运行的循环途径，即环己二酮、高环烯和环己二酮。在环化步骤中，使用碳酸铯代替碳酸钾作为质子捕集剂，显着提高了产率。

  DOI：

  10.1080/00397910600910633

文献信息

• PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY
  申请人：Technische Universität München

  公开号：EP3494999A1

  公开（公告）日：2019-06-12

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医疗用途。
• GLYCOSYLATED PSMA INHIBITORS FOR IMAGING AND ENDORADIOTHERAPY
  申请人：Technische Universität München

  公开号：EP3494998A1

  公开（公告）日：2019-06-12

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医学用途。
• MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES
  申请人：Meyer Michel

  公开号：US20110079557A1

  公开（公告）日：2011-04-07

  The present invention relates to a material notably adapted for the extraction of metal cations in an aqueous medium, comprising a solid support on which are attached polyazacycloalkane compounds having a ring including at least 4 nitrogen atoms, and wherein the nitrogen atoms of the ring are substituted with coordinating groups, which each are independently: a coordinating group of formula: —(CH 2 ) n —C(═O)—NR 1 R 2 or else a both coordinating and binding group, fitting the formula: —(CH 2 ) p —C(═O)—NR 3 -(A)-[support]. The invention also relates to methods for preparing the aforementioned materials and to different uses thereof, notably for the extraction of Pb 2+ cations in an aqueous medium.

  本发明涉及一种特别适用于在水性介质中提取金属阳离子的材料，包括固体支撑物，其上附着有具有环的聚氮杂环烷化合物，该环至少包括4个氮原子，并且环的氮原子被配位基取代，其中每个配位基独立地为以下之一：配位基的化学式为：—(CH2)n—C(═O)—NR1R2或者既是配位又是结合基的化学式为：—(CH2)p—C(═O)—NR3-(A)-[支撑物]。该发明还涉及制备上述材料的方法以及它们的不同用途，特别是用于在水性介质中提取Pb2+阳离子。
• CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN
  申请人：Suh Jung Hun

  公开号：US20100036122A1

  公开（公告）日：2010-02-11

  The present invention relates to a cleavage agent and a cleavage method selectively acting on soluble assembly of amyloidogenic peptide or protein.

  这项发明涉及一种裂解剂和一种选择性作用于可溶性淀粉样肽或蛋白质组装体的裂解方法。
• [EN] COMPOUNDS FOR CHROMATOGRAPHIC SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF<br/>[FR] COMPOSÉS POUR LA SÉPARATION DE MÉTAUX DES TERRES RARES ET DE MÉTAUX S, P, D, PROCÉDÉ DE SÉPARATION ET UTILISATION DE CEUX-CI
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I

  公开号：WO2020244686A1

  公开（公告）日：2020-12-10

  The present invention relates to compounds of general formula (I), wherein - X is selected from a group consisting of H; C1 to C6, alkyl; halogen (F, Cl, Br or I); Y is selected from a group consisting of nitrogen; N-oxide; Z1, Z2, Zm, wherein m is 1 or 2, are independently selected from the group consisting of -CH2-CH2- and -CH2-CH2-CH2-; A, Am, wherein m is 1 or 2, are independently selected from H; -CH2COOH; -CH2C(O)NH2; -CH2P(O)(OH)2, and - n is 1 or 2; R1, R2, R3 are independently H; C1 to C6, alkyl; C1 to C6 alkyloxy; C6 to C10 aryloxy; benzyloxy; C1 to C6 alkylthio; C6, to C10 arylthio; F; Cl; Br; I; OH; SH; NH2; C1 to C6, alkylamino; di(C1 to C6, alkyl)amino; C1 to C6 acylamino; di(C1 to C6 acyl) amino; C6 to C10 arylamino; di(C6 to C10 aryl)amino; CN; OH; nitro; COORn, C(O)NHRn, C(O)N(Rn)2, wherein Rn is independently H or C1 to C10 alkyl or C6, to C10 aryl; and/or neighboring two of R1, R2, R3 together with neighboring two carbon atoms of the aromatic cycle form a six-membered ring, optionally substituted with one or more substituents independently selected from the group consisting of OH, SH, CF3, F, Cl, Br, I, C1 to C6, alkyl, C1 to C6, alkyloxy, C1 to C6 alkylthio, NH2, C1 to C6 alkylamino, di(C1 to C6 alkyl)amino, NO2, COOH, COORn, C(O)NHRn, C(O)N(Rn)2, wherein Rn is independently H or C1 to C10 alkyl or C6 to C10 aryl; with the proviso that when n is 2 and all of Z1, Z2, Zm are -CH2-CH2-, then A is not -CH2COOH; for chromatographic separation of rare earth elements and/or s-, p- and d-block metals, as well as to the method of the separation of rare earth elements.

  本发明涉及一般式（I）的化合物，其中- X从H; C1到C6的烷基; 卤素（F、Cl、Br或I）中选择; Y从氮; N-氧化物; Z1、Z2、Zm中选择，其中m为1或2，分别独立选择自-CH2-CH2-和-CH2-CH2-CH2-的群; A、Am，其中m为1或2，分别独立选择自H; -CH2COOH; -CH2C（O）NH2; -CH2P（O）（OH）2，和-n为1或2; R1、R2、R3独立选择H; C1到C6的烷基; C1到C6的烷氧基; C6到C10的芳基氧基; 苄氧基; C1到C6的烷硫基; C6到C10的芳硫基; F; Cl; Br; I; OH; SH; NH2; C1到C6的烷基氨基; 二（C1到C6的烷基）氨基; C1到C6的酰胺基; 二（C1到C6的酰）氨基; C6到C10的芳基氨基; 二（C6到C10的芳基）氨基; CN; OH; 硝基; COORn，C（O）NHRn，C（O）N（Rn）2，其中Rn独立选择H或C1到C10烷基或C6到C10芳基; 和/或R1、R2、R3中的相邻两个与芳环的相邻两个碳原子一起形成一个六元环，可选地用一个或多个独立选择自OH、SH、CF3、F、Cl、Br、I、C1到C6的烷基、C1到C6的烷氧基、C1到C6的烷硫基、NH2、C1到C6的烷基氨基、二（C1到C6的烷基）氨基、NO2、COOH、COORn、C（O）NHRn、C（O）N（Rn）2，其中Rn独立选择H或C1到C10烷基或C6到C10芳基; 前提是当n为2且所有的Z1、Z2、Zm均为-CH2-CH2-时，A不是-CH2COOH; 用于稀土元素和/或s、p和d-块金属的色谱分离，以及稀土元素分离方法。