2-氨基-5-碘-4-甲基吡啶 | 356561-08-5

• 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: 2-氨基-5-碘-4-甲基吡啶
• 中文别名: 5-碘-4-甲基吡啶-2-基胺；2-氨基-5-碘-4-甲基吡啶,95%
• 英文名称: 5-iodo-4-methylpyridin-2-ylamine
• 英文别名: 2-amino-5-iodo-4-methylpyridine；5-iodo-4-methyl-pyridin-2-ylamine；2-amino-5-iodo-4-picoline；5-iodo-4-methylpyridin-2-amine
• CAS: 356561-08-5
• 化学式: C₆H₇IN₂
• mdl: MFCD06637727
• 分子量: 234.039
• InChiKey: HYRZCIXFHXERJT-UHFFFAOYSA-N

物化性质

• 熔点：
  117.3-118.0°C
• 沸点：
  307.7±42.0 °C(Predicted)
• 密度：
  1.898±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避免接触氧化物和光线。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R22,R41
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H318
• 危险性防范说明：
  P280,P305 + P351 + P338
• 储存条件：
  保存方法：密闭、阴凉、通风干燥处

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 5-Iodo-4-Methyl-Pyridin-2-Ylamine
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
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Serious eye damage (Category 1), H318
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
T Toxic R25, R41
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H302 Harmful if swallowed.
H318 Causes serious eye damage.
Precautionary statement(s)
P280 Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
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 : 234,04 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
5-Iodo-4-Methyl-Pyridin-2-Ylamine
Acute Tox. 4; Eye Dam. 1; <= 100 %
H302, H318
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
5-Iodo-4-Methyl-Pyridin-2-Ylamine
Xn, R22 - R41 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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. Ensure
adequate ventilation. Evacuate personnel to safe areas. 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 contact with skin and eyes. 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, acute toxic Cat.3 / toxic hazardous materials or hazardous
materials causing chronic effects
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
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. 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
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with
an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 2811 IMDG: 2811 IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (5-Iodo-4-Methyl-Pyridin-2-Ylamine)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (5-Iodo-4-Methyl-Pyridin-2-Ylamine)
IATA: Toxic solid, organic, n.o.s. (5-Iodo-4-Methyl-Pyridin-2-Ylamine)
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
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
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Dam. Serious eye damage
H302 Harmful if swallowed.
H318 Causes serious eye damage.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R25 Toxic if swallowed.
R41 Risk of serious damage to eyes.
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：

  2-氨基-5-碘-4-甲基吡啶 在 间氯过氧苯甲酸 作用下， 以 丙酮 为溶剂， 生成 4-acetamido-4-chloromethyl-5-iodopyridine
  参考文献：
  名称：

  Compounds and methods for promoting smoking cessation

  摘要：

  用于促进戒烟的化合物和方法。这些化合物可用于治疗各种其他疾病和疾病状态。

  公开号：

  US06538010B1
• 作为产物：
  描述：

  2-氨基-4-甲基吡啶 在 N-碘代丁二酰亚胺 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 生成 2-氨基-5-碘-4-甲基吡啶
  参考文献：
  名称：

  N-碘代琥珀酰亚胺在苯胺碘化的区域化学中的显着变化：1,2-二氯-3,4-二碘苯的合成

  摘要：

  通过NIS在极性溶剂（例如DMSO）中直接对苯胺进行碘化，可得到对碘化的产品，其区域选择性高达> 99％。在AcOH存在下改用极性较小的溶剂（例如苯）会使该结果转向邻位异构体的急剧增加或优先生成，区域选择性也高达> 99％。该发现被用于合成1,2-二氯-3,4-二碘苯。 芳香胺-亲电取代-卤化-区域选择性-溶剂效应

  DOI：

  10.1055/s-0031-1290118

文献信息

• Preparation of Polyfunctional Indazoles and Heteroarylazo Compounds Using Highly Functionalized Zinc Reagents
  作者：Benjamin Haag、Zhihua Peng、Paul Knochel

  DOI：10.1021/ol901585k

  日期：2009.10.1

  available 2-chloromethylarylzinc reagents react with functionalized aryldiazonium tetrafluoroborates providing polyfunctional indazoles. Selective metalations of these 2-aryl-2H-indazoles afford new polycyclic aromatics. The performance of a chemoselective addition of diheteroarylzincs to aryldiazonium salts allows an efficient preparation of new heterocyclic azo compounds.

  现成的2-氯甲基芳基锌试剂与功能化的四氟硼酸芳基重氮反应，生成多官能的吲唑。这些2-芳基-2 H-吲唑的选择性金属化提供了新的多环芳族化合物。将二杂芳基锌化学选择性加成到芳基重氮盐中的性能允许有效地制备新的杂环偶氮化合物。
• FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20180111933A1

  公开（公告）日：2018-04-26

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  本文提供了式（I）的化合物，以及其药学上可接受的盐、N-氧化物或溶剂化合物， 本文还提供了包含式（I）化合物的药物组合物以及使用式（I）化合物的方法。
• Synthesis and Nicotinic Acetylcholine Receptor Binding Properties of Bridged and Fused Ring Analogues of Epibatidine
  作者：F. Ivy Carroll、T. Philip Robinson、Lawrence E. Brieaddy、Robert N. Atkinson、S. Wayne Mascarella、M. Imad Damaj、Billy R. Martin、Hernán A. Navarro

  DOI：10.1021/jm0704696

  日期：2007.12.13

  2'-chloropyridine ring bridged to the 7-azabicyclo[2.2.1]heptane ring via a methylene group, were synthesized, where the key step was an intramolecular reductive palladium-catalyzed Heck-type coupling. Even though the conformationally restricted epibatidine analogues, 3- 7, and the benzo analogue 8a possess nAChR pharmacophore features thought to be needed for alpha(4)beta(2) binding, they all showed low affinity

  通过以下步骤合成具有与7-氮杂双环[2.2.1]庚烷环的2,3位稠合的吡啶环的依巴替丁类似物3-5，和具有与5,6位稠合的苯环的吡啶类似物8a。涉及用1 H-吡咯-1-羧酸叔丁酯捕集2,3-吡啶，3,4-吡啶和苯炔的关键步骤。合成了两个表巴替丁类似物6和7，它们具有通过亚甲基桥接到7-氮杂双环[2.2.1]庚烷环上的2'-氯吡啶环，其中的关键步骤是分子内还原钯催化的Heck-类型耦合。即使构象受限的依巴替丁类似物3- 7和苯并类似物8a具有被认为是alpha（4）beta（2）结合所必需的nAChR药效团特征，但相对于epibatidine，它们都显示出对nAChR的低亲和力。这些研究提供了有关nAChRs药效团的新信息，并表明氮孤对的方向性和空间因素可能很重要。有趣的是，作为研究桥接类似物6和7的标准化合物而制备的N-甲基表巴替丁是一种有效的nAChR混合激动剂拮抗剂。
• 5-ALKYNYL-PYRIMIDINES
  申请人：SCHNEIDER Siegfried

  公开号：US20120028952A1

  公开（公告）日：2012-02-02

  The present invention encompasses compounds of general formula (1) wherein R 1 to R 3 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a medicament having the above-mentioned properties.

  本发明涵盖了一般式（1）中定义的化合物，其中R1至R3如权利要求1中所定义，适用于治疗以细胞过度或异常增殖为特征的疾病，并用于制备具有上述特性的药物。
• [EN] 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS<br/>[FR] 5-ALCYNYL PYRIMIDINES ET LEUR UTILISATION COMME INHIBITEURS DE KINASES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011092197A1

  公开（公告）日：2011-08-04

  The present invention encompasses compounds of general formula (1) wherein R1 to R4 R3 are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a medicament having the above-mentioned properties.

  本发明涵盖了一般式（1）中R1至R4 R3如权利要求1所定义的化合物，这些化合物适用于治疗以细胞过度或异常增殖为特征的疾病，并用于制备具有上述特性的药物。