4-(4-吗啉基)-1,3,5-三嗪-2-胺 | 2045-25-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 4-(4-吗啉基)-1,3,5-三嗪-2-胺
• 中文别名: 1,3,5-三嗪-2-胺,4-(4-吗啉)-；4-(4-吗啉)-1,3,5-三嗪-2-胺；4-吗啉-4-基-1,3,5-三嗪-2-胺；2-氨基-4-N-吗啉基-S-三嗪；(4-N-吗啉基-S-三嗪-2-基)胺；4-N-吗啉基-1,3,5-三嗪-2-胺；S-三嗪,2-氨基-4-N-吗啉基-
• 英文名称: 2-Amino-4-morpholino-1,3,5-triazin
• 英文别名: 4-morpholino-1,3,5-triazin-2-amine；2-Amino-4-morpholino-s-triazine；4-morpholin-4-yl-1,3,5-triazin-2-amine
• CAS: 2045-25-2
• 化学式: C₇H₁₁N₅O
• mdl: MFCD00023307
• 分子量: 181.197
• InChiKey: QEJUSHCHCOTTPE-UHFFFAOYSA-N

物化性质

• 熔点：
  220-221 °C(Solv: ethanol (64-17-5))
• 沸点：
  434.8±55.0 °C(Predicted)
• 密度：
  1.345±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090
• WGK Germany：
  3

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-(4-Morpholinyl)-1,3,5-Triazin-2-Amine
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 181,2 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Avoid
breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  4-(4-吗啉基)-1,3,5-三嗪-2-胺 在 platinum(IV) oxide 、 氢气 作用下， 以 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 27.0h， 生成 4-(3,4-dihydroimidazo[1,2-a][1,3,5]triazin-2-yl)morpholine
  参考文献：
  名称：

  Regioselective synthesis of imidazo[1,2-a][1,3,5]triazines and 3,4-dihydroimidazo[1,2-a][1,3,5]triazines from [1,3,5]triazin-2,4-diamines

  摘要：

  An efficient and practical procedure was developed to prepare novel imidazo[1,2-a][1,3,5]triazines and 3,4-dihydroimidazo[1,2-a][1,3,5]triazines with a good regioselectivity and high yields, starting from di-cyandiamide and the corresponding arylamines. Mechanistic studies for the subsequent cyclo-condensation with chloroacetaldehyde support a pathway, which begins with the displacement of the chloro atom activated by an adjacent CO group, followed by cyclization and dehydration. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.039
• 作为产物：
  描述：

  moroxydine hydrochloride 以75%的产率得到
  参考文献：
  名称：

  PAUL B. K.; BANERJEE-CHAUDHURY S.; RAY M. R.; CHAKRAVORTI S. S.; BOSE A. +, INDIAN-J. CHEM. , 1976, B14, NO 11, 887-892

  摘要：

  DOI：

文献信息

• Synthesis of imidazo[1,2-<i>a</i>][1,3,5]triazines by NBS-mediated coupling of 2-amino-1,3,5-triazines with 1,3-dicarbonyl compounds
  作者：Zexi Pan、Chan Song、Wei Zhou、Dong-Mei Cui、Chen Zhang

  DOI：10.1039/c9nj05794c

  日期：——

  Aroylimidazo[1,2-a][1,3,5]triazines are rapidly synthesized via a facile and mild reaction of 2-amino-triazines and 1,3-dicarbonyl compounds using NBS. The reaction occurred with good yields and excellent regioselectivity, and β-keto esters, β-keto amides, and 1,3-diones were tolerated under the optimized procedure. In addition, the successful application of this methodology for a gram-scale reaction

  使用NBS通过2-氨基三嗪和1,3-二羰基化合物的轻度和温和反应可以快速合成Aroylimidazo [1,2- a ] [1,3,5]三嗪。该反应以良好的收率和优异的区域选择性进行，并且在优化的程序下耐受β-酮酯，β-酮酰胺和1，3-二酮。此外，这种方法在克级反应中的成功应用表明其具有大量合成的潜力。
• Copper(<scp>ii</scp>) catalyzed iodine-promoted oxidative cyclization of 2-amino-1,3,5-triazines and chalcones: synthesis of aroylimidazo[1,2-a][1,3,5]triazines
  作者：Jin Jing Li、Chan Song、Dong-Mei Cui、Chen Zhang

  DOI：10.1039/c7ob01018d

  日期：——

  An efficient copper(II) catalyzed iodine-promoted synthesis of aroylimidazo[1,2-a][1,3,5]triazines from 2-amino-1,3,5-triazines and chalcones under mild conditions has been developed. The reaction occurred with good yields and excellent regioselectivities, and tolerated chalcone containing functionalities such as ethers, halogens, and nitro groups. The successful application of this methodology for

  开发了一种高效的铜（II）在温和条件下由2-氨基-1,3,5-三嗪和查耳酮催化碘促进的芳基咪唑并[1,2- a ] [1,3,5]三嗪的合成方法。该反应具有良好的收率和优异的区域选择性，并且可以耐受包含查耳酮的官能团，例如醚，卤素和硝基。这种方法在克级反应中的成功应用表明其具有大量合成的潜力。
• Metal free [4+1] and [5+1] annulation reactions to prepare heterocycles using DMF and its derivatives as one-carbon source
  作者：Yiwen Xu、Bei Shen、Lingfeng Liu、Chunhua Qiao

  DOI：10.1016/j.tetlet.2020.151844

  日期：2020.5

  in a variety of pharmaceutical and agrochemical agents. Herein, we report a highly efficient and practical method using DMF and its derivative for the [4+1] and [5+1] annulation reactions to prepare these heterocycles. This metal free reaction takes advantages of shelf stable DMF as solvent and carbon donor, imidazole chloride as catalyst, the mild reaction condition tolerates a broad substrate range

  1,2,4-三唑并[3,4- a ]吡啶和相关的杂环以及取代的三嗪是在各种药物和农用化学试剂中普遍发现的支架。在这里，我们报告了一种高效且实用的方法，该方法使用DMF及其衍生物进行[4 + 1]和[5 + 1]环化反应，以制备这些杂环。这种无金属的反应利用了贮存稳定的DMF作为溶剂和碳供体，使用咪唑氯化物作为催化剂的优势，温和的反应条件可耐受广泛的底物范围并替代。制备的3-未取代的1,2,4-三唑并[3,4- a ]吡啶和衍生物允许在3-位进一步引入各种官能团。
• Ruthenium-catalyzed <i>N</i>-alkylation of amino-1,3,5-triazines using alcohols
  作者：Junna Zhao、Pengzhen Zhong、Zhongpao Xie、Wei Zhou、Chen Zhang、Dong-Mei Cui

  DOI：10.1039/d1nj03116c

  日期：——

  facile, and high atom economical protocol, a broad range of products was prepared in moderate to good yields and heterocyclic or benzylic alcohols containing various functionalities were tolerated. The application of the reaction is also further demonstrated by the synthesis of alkylated secondary amine-1,3,5-triazines from olefinated amino-1,3,5-triazines and alcohols via a one pot N-alkylation and

  通过BH/HA 策略实现了有效的钌催化氨基 1,3,5-三嗪与醇的N-烷基化。遵循这种简单、简便和高原子经济性的方案，以中等至良好的产率制备了广泛的产品，并且可以容忍含有各种官能团的杂环醇或苄醇。该反应的应用还通过从烯化氨基-1,3,5-三嗪和醇通过一锅N-烷基化和还原反应合成烷基化仲胺-1,3,5-三嗪进一步证明。
• Copper-Catalyzed Tandem Reactions of 2-Amine-[1,3,5]triazines with Nitriles
  作者：Li-Yu Zhang、Chen Zhang、Tao Wang、Yu-Long Shi、Meng-Tao Ban、Dong-Mei Cui

  DOI：10.1021/acs.joc.8b02150

  日期：2019.1.18

  of 2-amine-[1,3,5]triazines and aryl nitriles for the synthesis of [1,2,4]triazolo[1,5-a][1,3,5]triazines via N–C bond formation and oxidative N–N coupling [oxidative 3 + 2 cyclization] is presented. A wide range of aryl nitriles, including electron-rich benzonitriles, electron-poor benzonitriles, 2-cyanothiophene, and 4-cyanopyridine, were all functionalized with 2-amine-[1,3,5]triazines. Furthermore

  铜催化的2-胺-[1,3,5]三嗪和芳基腈的分子间环化反应，通过N合成[1,2,4]三唑[1,5- a ] [1,3,5]三嗪介绍了–C键的形成和氧化性N–N偶联[氧化性3 + 2环化]。各种各样的芳基腈，包括富含电子的苯甲腈，贫电子的苯甲腈，2-氰基噻吩和4-氰基吡啶，都被2-胺-[1,3,5]三嗪官能化。此外，还证明了通过铜催化的苯乙腈的C-CN键裂解，使2-胺-[1,3,5]三嗪发生酰胺化。该反应以中等至令人满意的产率发生，并且耐受烷基或芳基取代的2-胺-[1,3,5]三嗪。苯胺，氨基吡啶和氨基嘧啶也提供了所需的产物。