2-氨基-4,6-甲氧基-1,3,5-三嗪 | 16370-63-1

• 物质功能分类: 化学农药原药 - 除草剂 - 磺酰脲类除草剂
• 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: 2-氨基-4,6-甲氧基-1,3,5-三嗪
• 中文别名: 2-氨基-4,6-二甲氧基-1,3,5-三嗪
• 英文名称: 2-amino-4,6-dimethoxy-1,3,5-triazine
• 英文别名: 2-Amino-4,6-dimethoxy-1,3,5-triazin；2-Amino-4,6-dimethoxy-s-triazin；4,6-dimethoxy-1,3,5-triazin-2-amine
• CAS: 16370-63-1
• 化学式: C₅H₈N₄O₂
• 分子量: 156.144
• InChiKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N

物化性质

• 熔点：
  220-222
• 沸点：
  338.8±25.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933699090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  | 2-8°C |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4,6-dimethoxy-1,3,5-triazine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Amino-4,6-dimethoxy-1,3,5-triazine
CAS number: 16370-63-1

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H8N4O2
Molecular weight: 156.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质

本品为白色结晶，熔点217～220℃，难溶于水，可溶于热乙醇、丙酮等溶剂。

用途

2-氨基-4,6-二甲氧基-1,3,5-三嗪是磺酰脲类除草剂醚磺隆的中间体。

生产方法

其制备方法是在反应釜中加入甲苯，搅拌下逐渐加入三聚氯氰。随后降温至-15℃并通入氨气以维持反应温度在-5～10℃之间。完成反应后冷却、结晶、过滤得2-氨基-4,6-二氯三嗪。再将此产物放入另一反应釜中，加入甲醇和固碱，在搅拌下加热反应。反应一定时间后趁热过滤，冷却、结晶、再次过滤，干燥即可得到成品。

反应信息

• 作为反应物：
  描述：

  2-氨基-4,6-甲氧基-1,3,5-三嗪 在 肼 作用下， 以 水 为溶剂， 反应 3.0h， 以98%的产率得到2-amino-4,6-dihydrazino-1,3,5-triazine
  参考文献：
  名称：

  Chemical compounds containing bis(triazolo)triazine structures and methods thereof

  摘要：

  具有双(三唑基)三嗪结构的化合物，包括其配合物和盐，可以用作中间体或最终产品中的有用物质。

  公开号：

  US06833454B1
• 作为产物：
  描述：

  三聚氰酸三甲酯 在 氨 作用下， 以 水 为溶剂， 反应 2.0h， 以86%的产率得到2-氨基-4,6-甲氧基-1,3,5-三嗪
  参考文献：
  名称：

  Chemical compounds containing bis(triazolo)triazine structures and methods thereof

  摘要：

  具有双(三唑基)三嗪结构的化合物，包括其配合物和盐，可以用作中间体或最终产品中的有用物质。

  公开号：

  US06833454B1

文献信息

• N-Phenylsulfonyl-N'-triazinylureas
  申请人：Ciba Geigy Corporation

  公开号：US04537619A1

  公开（公告）日：1985-08-27

  N-Phenylsulfonyl-N'-triazinylureas of the general formula ##STR1## and the salts thereof with amines, alkali metal or alkaline earth metal bases or with quaternary ammonium bases, have good pre- and postemergence selective herbicidal and growth regulating properties. In the above formula Q is chlorine, bromine, trifluoromethyl, chlorodifluoromethyl, bromodifluoromethyl or methyl, X is oxygen, sulfur, a sulfinyl or sulfonyl bridge, Z is oxygen or sulfur, R.sub.2 is hydrogen, halogen, C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl, C.sub.1 -C.sub.4 -haloalkyl, or a radical --Y--R.sub.5, --COOR.sub.6, --NO.sub.2 or --CO--NR.sub.7 --R.sub.8, R.sub.3 and R.sub.4, each independently of the other, are hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 alkylthio, C.sub.1 -C.sub.4 haloalkyl, halogen or alkoxyalkyl of at most 4 carbon atoms, R.sub.5 and R.sub.6, each independently of the other, are C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl or C.sub.2 -C.sub.6 alkynyl, R.sub.7 and R.sub.8, each independently of the other, are hydrogen, C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl or C.sub.2 -C.sub.6 alkynyl, and Y is oxygen, sulfur, a sulfinyl or sulfonyl bridge.

  N-苯磺酰基-N'-三嗪基脲的一般化学式为##STR1##，其与胺、碱金属或碱土金属碱或季铵碱的盐具有良好的前期和后期选择性除草和生长调节性能。在上述式中，Q为氯、溴、三氟甲基、氯二氟甲基、溴二氟甲基或甲基，X为氧、硫、亚砜基或磺酰基桥，Z为氧或硫，R.sub.2为氢、卤素、C.sub.1 -C.sub.5烷基、C.sub.2 -C.sub.5烯基、C.sub.1 -C.sub.4卤代烷基，或基团--Y--R.sub.5、--COOR.sub.6、--NO.sub.2或--CO--NR.sub.7--R.sub.8，R.sub.3和R.sub.4，各自独立于其他，为氢、C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基、C.sub.1 -C.sub.4烷硫基、C.sub.1 -C.sub.4卤代烷基、卤素或至多4个碳原子的烷氧基，R.sub.5和R.sub.6，各自独立于其他，为C.sub.1 -C.sub.5烷基、C.sub.2 -C.sub.5烯基或C.sub.2 -C.sub.6炔基，R.sub.7和R.sub.8，各自独立于其他，为氢、C.sub.1 -C.sub.5烷基、C.sub.2 -C.sub.5烯基或C.sub.2 -C.sub.6炔基，Y为氧、硫、亚砜基或磺酰基桥。
• Intermediates for herbicidal sulfonamides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04238621A1

  公开（公告）日：1980-12-09

  This invention relates to novel o-carbonylbenzenesulfonyl isocyanates and their use as intermediates for the preparation of sulfonylureas which are known to be active herbicides.

  本发明涉及新型的o-羰基苯磺酰基异氰酸酯及其作为已知活性除草剂磺酰脲的中间体的用途。
• Herbicidal N-[heterocyclicaminocarbonyl]-1H-indene and
  申请人：E. I. DuPont de Nemours and Company

  公开号：US04465506A1

  公开（公告）日：1984-08-14

  N-[Heterocyclicaminocarbonyl]-1H-indene and tetrahydronaphthalene sulfonamides, such as 2,3-dihydro-N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-1H-indene-4-sul fonamide, are useful for the regulation of plant growth and as preemergent and postemergent herbicides.

  N-[杂环氨基甲酰基]-1H-茚烯和四氢萘磺胺类化合物，例如2,3-二氢-N-[(4,6-二甲氧基嘧啶-2-基)氨基甲酰基]-1H-茚烯-4-磺胺，可用于调节植物生长并作为除草剂的预发芽和后发芽剂。
• Aminoacids in the synthesis of heterocyclic systems. The synthesis of methyl 2-acetylamino-3-dimethylaminopropenoate and 2-(<i>N</i>-methyl-<i>N</i>-trifluoroacetyl)amino-3-dimethylaminopropenoate and their application in the synthesis of heterocyclic compounds
  作者：Lucija Kralj、Aleš Hvala、Jurij Svete、Ljubo Golič、Branko Stanovnik

  DOI：10.1002/jhet.5570340137

  日期：1997.1

  prepared from N-acetylglycine (1), which was converted with N,N-dimethylformamide and phosphorus oxychloride into 4-dimethylaminomethylene-2-methyl-5(4H)-oxazolone (2), followed by treatment with methanol in the presence of potassium carbonate, into 3. The compound 3 was shown to be a versatile reagent in the synthesis of various heterocyclic systems. With N-nucleophiles, such as heterocyclic amines

  由N-乙酰基甘氨酸（1）制备（Z）-2-乙酰氨基-3-二甲基氨基丙酸甲酯（3 ），将其与N，N-二甲基甲酰胺和氯氧化磷转化为4-二甲基氨基亚甲基-2-甲基-5（4 H）-恶唑酮（2），然后在碳酸钾存在下用甲醇处理成3。化合物3在多种杂环系统的合成中被证明是一种多功能试剂。与Ñ -nucleophiles，如杂环胺4，或者甲基2-乙酰氨基-3- heteroarylaminopropenoates 5或形成稠合的6 pyrimidinoncs，取决于反应条件和/或杂环取代基：C ^-具有活性或潜在活性亚甲基的亲核试剂，例如1,3-二羰基化合物7、8和9，取代的苯酚10a，b，萘酚11、12a-c和取代的香豆素13a，提供了取代的吡喃酮20和22，和熔融的吡喃酮21、23–26。含氮杂环14-19产生吡喃嗪27-31和吡喃唑32。在所有这些系统中，乙酰氨基基团连接在新形成的吡喃酮环的3位上。通
• Agricultural sulfonamides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04394506A1

  公开（公告）日：1983-07-19

  N-(heterocyclicaminocarbonyl)arylsulfonamides in which the aryl radical is substituted in the 2-position by a carboxy radical, ester, thioester, or amide thereof; e.g. N-[(4,6-dimethylpyrimidin-2-yl)aminocarbonyl]-2-methoxycarbonylbenzenesulf onamide or N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)aminocarbonyl]-2-methoxycarbonylbenze nesulfonamide; are useful for the regulation of plant growth and as pre-emergence and post-emergence herbicides.

  N-(杂环氨基甲酰)芳基磺酰胺，其中芳基基团在2-位被羧基，酯，硫酯基或其酰胺取代；例如N-[(4,6-二甲基嘧啶-2-基)氨基甲酰]-2-甲氧基羧基苯磺酰胺或N-[(4,6-二甲氧-1,3,5-三嗪-2-基)氨基甲酰]-2-甲氧基羧基苯磺酰胺；用于植物生长的调节以及作为前除草剂和后除草剂。