1-氨基-2-甲基吡啶碘化物 | 7583-90-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-氨基-2-甲基吡啶碘化物
• 英文名称: 1-amino-2-methylpyridinium iodide
• 英文别名: 2-methylpyridin-1-ium-1-amine;iodide
• CAS: 7583-90-6
• 化学式: C₆H₉N₂*I
• 分子量: 236.055
• InChiKey: XMFXSCPQGJZSLU-UHFFFAOYSA-M

物化性质

• 熔点：
  148-149℃

计算性质

• 辛醇/水分配系数(LogP)：
  -3.0
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  29.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  应储存在室温、密封和干燥的环境中。

SDS

1-Amino-2-methylpyridinium Iodide Revision number: 5.3
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 1-Amino-2-methylpyridinium Iodide

Revision number: 5.3

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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
Signal word Warning
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
Components: 1-Amino-2-methylpyridinium Iodide
Percent: >98.0%(HPLC)(T)
CAS Number: 7583-90-6
Chemical Formula: C6H9IN2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
1-Amino-2-methylpyridinium Iodide

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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 under inert gas.
Store away from incompatible materials such as oxidizing agents.
Air-sensitive
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:
1-Amino-2-methylpyridinium Iodide

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Colour: White - Slightly pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:152°C (dec.)
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
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen Iodide
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:
Fish: No data available
No data available
Crustacea:
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
No data available
Henry's Law
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
UN-No: Not listed
1-Amino-2-methylpyridinium Iodide

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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-氨基-2-甲基吡啶碘化物 在 potassium carbonate 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Kakehi, Akikazu; Ito, Suketaka; Nagata, Kenji, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 1, p. 156 - 169

  摘要：

  DOI：
• 作为产物：
  描述：

  碳酸甲丙酯 在 HO₃SONH₂ 、 potassium carbonate 、 氢碘酸 作用下， 以 水 为溶剂， 反应 1.0h， 以23%的产率得到1-氨基-2-甲基吡啶碘化物
  参考文献：
  名称：

  非咪唑杂环组胺H3受体拮抗剂。

  摘要：

  围绕咪唑并吡啶组胺H（3）拮抗剂前导的SAR的继续探索导致了几个相关系列的杂环组胺H（3）拮抗剂的发现。现在描述吲哚嗪，吲哚和吡唑并吡啶基化合物的合成和SAR。

  DOI：

  10.1016/s0960-894x(03)00299-3

文献信息

• Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives
  申请人：Fadli Aziz

  公开号：US20070143935A1

  公开（公告）日：2007-06-28

  Disclosed herein is a composition for the dyeing of keratin fibers, for example, human keratin fibers such as the hair, comprising at least one 3-amino pyrazolo-[1,5-a]-pyridine derivative or one of its addition salts and a method employing this derivative. The composition of the present disclosure makes it possible to obtain coloration in various shades that is powerful, chromatic, and aesthetic, with low selectivity and with good resistance to various aggressive factors to which the hair may be subjected, such as shampoos, the light, sweat and permanent shaping.

  本公开涉及一种用于染色角蛋白纤维的组合物，例如，人类角蛋白纤维，如头发，包括至少一种3-氨基吡唑并[1,5-a]-吡啶衍生物或其加合盐以及采用该衍生物的方法。本公开的组合物使得可以获得各种色调的着色，具有强大、色彩丰富和美观的特性，具有低选择性，并且对头发可能受到的各种侵蚀因素具有良好的抵抗力，如洗发水、光线、汗水和永久造型。
• [3+2] Cycloaddition of N-Aminopyridines and Perfluoroalkynylphosphonates: Facile Synthesis of Perfluoroalkylated Pyrazolo[1,5-a]pyridines Containing a Phosphonate Moiety
  作者：Hui Zhang、Weiguo Cao、Qi Huang、Dong He、Jing Han、Jie Chen、Weimin He、Hongmei Deng、Min Shao

  DOI：10.1055/s-0037-1610443

  日期：2018.9

  3-Zwitterions generated from N-aminopyridines in the presence of base are trapped by perfluoroalkynylphosphonates to yield a variety of perfluoroalkylated pyrazolo[1,5-a]pyridine derivatives bearing a phosphonate group. The salient features of these [3+2] cycloadditions include operational simplicity, good tolerance of functional groups, and good to excellent yields at room temperature. 1,3-Zwitterions generated

  §对这项工作有同等贡献。 抽象的 由N-氨基吡啶在碱存在下产生的1，3-两性离子被全氟炔基膦酸酯捕获，得到各种带有膦酸酯基团的全氟烷基化吡唑并[1，5- a ]吡啶衍生物。这些[3 + 2]环加成反应的显着特征包括操作简便，对官能团的良好耐受性以及在室温下良好至优异的收率。 由N-氨基吡啶在碱存在下产生的1，3-两性离子被全氟炔基膦酸酯捕获，得到各种带有膦酸酯基团的全氟烷基化吡唑并[1，5- a ]吡啶衍生物。这些[3 + 2]环加成反应的显着特征包括操作简便，对官能团的良好耐受性以及在室温下良好至优异的收率。
• Synthesis Using Allylidenedihydropyridines. VIII. Facile Preparation of 2-Alkylthio-3-vinylpyrazolo[1,5-a]pyridines
  作者：Akikazu Kakehi、Suketaka Ito、Kozo Watanabe

  DOI：10.1246/bcsj.53.1775

  日期：1980.6

  Reactions of 1-[bis(alkylthio)methyleneamino]-2-methylpyridinium iodides with activated ethoxymethylene compounds in the presence of alkali gave the corresponding 1-[bis(alkylthio)methyleneamino]-2-allylidene-1,2-dihydropyridines in considerable yields, and their thermolyses in benzene afforded 2-alkylthio-3-vinylpyrazolo[1,5-a]pyridine derivatives.

  1-[双（烷硫基）亚甲基氨基]-2-甲基吡啶鎓碘化物与活化的乙氧基亚甲基化合物在碱存在下的反应以可观的产率得到相应的1-[双（烷硫基）亚甲基氨基]-2-亚丙基-1,2-二氢吡啶，它们在苯中的热解得到 2-烷硫基-3-乙烯基吡唑并[1,5-a]吡啶衍生物。
• Preparation of New Nitrogen-Bridged Heterocycles. 42. Synthesis and the Reaction of Pyridinium<i>N</i>-Ylides Using Bifunctional Ethyl Thiocyanatoacetates
  作者：Akikazu Kakehi、Suketaka Ito、Yasunobu Hashimoto

  DOI：10.1246/bcsj.69.1769

  日期：1996.6

  cycloadditions of some pyridinium (unsymmetrically substituted cyanomethylide)s with dimethyl acetylenedicarboxylate (DMAD) in various solvents afforded only dimethyl 3-cyanoindolizine-1,2-dicarboxylate, except a few examples. On the other hand, the treatment of pyridinium (thiocyanatoaceto)- or (2-thiocyanatopropiono)amidates with a strong base, such as potassium t-butoxide, gave new bicyclic mesoionic compounds

  各种吡啶鎓（单取代的甲基化物）在硫氰酸乙酯或 2-硫氰酸根合丙酸乙酯中顺利地攻击氰基，以低到中等的产率得到相应的吡啶鎓（取代的氰基甲基化物），而吡啶鎓（未取代的酰胺化物）与在相同的试剂中酯羰基以可观的产率得到吡啶鎓（硫氰酸根合乙酰基）-或（2-硫氰酸根合丙基）酰胺。除了几个例子外，一些吡啶鎓（不对称取代的氰基甲基化物）与乙炔二甲酸二甲酯 (DMAD) 在各种溶剂中的 1,3-偶极环加成仅得到 3-氰基吲哚腙-1,2-二甲酸二甲酯。另一方面，用强碱（如叔丁醇钾）处理吡啶鎓（硫氰基乙酰基）-或（2-硫氰基丙酸基）酰胺，得到了新的双环介离子化合物 N-[2-(1,3,4-噻二唑并[3,2-a]吡啶并)]乙酰胺衍生物，收率适中。N-[1-(2-thiocyanatopyridinio)]aceta的中间体...
• Preparation of New Nitrogen-bridged Heterocycles. 11. A New Synthetic Method of Pyrazolo[1,5-<i>a</i>]pyridines from the Alkaline Treatment of 1-[(Acylmethylthio)methyleneamino]pyridinium Salts
  作者：Akikazu Kakehi、Suketaka Ito、Masayoshi Ito、Toshiaki Yotsuya、Kenji Nagata

  DOI：10.1246/bcsj.58.1432

  日期：1985.5

  Alkaline treatment of 1-[(acylmethylthio)methyleneamino]pyridinium halides gave unexpectedly 3-acyl- or 3-(acylthio)pyrazolo[1,5-a]pyridine derivatives in 35–87% yields. Some 4,4a-dihydropyrido[1,2-d][1,3,4]thiadiazine intermediates involved in these reactions could be detected by their nmr follows and three related 4a,8-dimethyl derivatives were isolated. Substituent effect and possible mechanisms

  1-[(酰基甲硫基)亚甲基氨基]吡啶鎓卤化物的碱处理出人意料地以35-87%的产率得到3-酰基-或3-(酰基硫基)吡唑并[1,5-a]吡啶衍生物。一些参与这些反应的 4,4a-二氢吡啶并 [1,2-d][1,3,4] 噻二嗪中间体可以通过它们的核磁共振检测到，并分离出三种相关的 4a,8-二甲基衍生物。还讨论了替代效应和可能的机制。

表征谱图