2-氨基-5-氯-3-碘吡啶 | 211308-81-5

• 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-氯-3-碘吡啶
• 中文别名: 2-氨基-3-碘-5-氯吡啶；2-氨基-5-氯-4-碘吡啶；2-氨基-5-氯-3-碘吡啶,95%
• 英文名称: 5-chloro-3-iodo-2-aminopyridine
• 英文别名: 5-chloro-3-iodopyridin-2-amine；2-amino-5-chloro-3-iodopyridine
• CAS: 211308-81-5
• 化学式: C₅H₄ClIN₂
• mdl: MFCD07644578
• 分子量: 254.458
• InChiKey: DIONPYCYVWCDIG-UHFFFAOYSA-N

物化性质

• 熔点：
  137-138°C
• 沸点：
  306.9±42.0 °C(Predicted)
• 密度：
  2.139±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避免氧化和光照

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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
• 危险品运输编号：
  NONH for all modes of transport
• 海关编码：
  2933399090
• 包装等级：
  III
• WGK Germany：
  3
• 危险标志：
  GHS07
• 危险性描述：
  H302
• 危险性防范说明：
  P280,P305+P351+P338
• 储存条件：
  保存方法：密闭存放在阴凉、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-Chloro-3-Iodo-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
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
Xn Harmful R22
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 Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
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 : 254,46 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
5-Chloro-3-Iodo-Pyridin-2-Ylamine
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
5-Chloro-3-Iodo-Pyridin-2-Ylamine
Xn, R22 <= 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
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. Ensure
adequate ventilation. 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 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
Safety glasses with side-shields conforming to EN166 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
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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
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
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
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.

制备方法与用途

用途

2-氨基-5-氯-3-碘吡啶及其衍生物是一类非常有用的氨基吡啶类化合物，作为重要的医药中间体，可用于合成治疗消化系统疾病的药物——哌仑西平。哌仑西平是一种优良的抗溃疡药，主要用于胃及十二指肠溃疡的治疗。此外，氨基吡啶还可用于合成二氮杂卓类抗艾滋病药物，并用作杀虫剂的中间体。

2-氨基-5-氯-3-碘吡啶本身也是一种有用的合成中间体，广泛应用于高选择性酪氨酸激酶抑制剂的设计与合成中。它还被用于合成具有抗菌和抗真菌活性的氮杂吲哚衍生物。因此，对2-氨基-5-氯-3-碘吡啶的合成研究具有重要意义，并且前景十分广阔。

反应信息

• 作为反应物：
  描述：

  2-氨基-5-氯-3-碘吡啶 在 四(三苯基膦)钯 、 亚硝酸特丁酯 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 37.17h， 生成 3-氯苯并[4,5]噻吩并[2,3-b]吡啶
  参考文献：
  名称：

  苯并[4,5]噻吩并[2,3-b]吡啶衍生物用作高效绿色和蓝色磷光有机发光二极管的主体材料。

  摘要：

  苯并[4,5]噻吩并[2,3-b]吡啶（BTP）作为高三重态能量材料的电子缺陷部分被新开发，并合成了具有BTP和咔唑基团的两种BTP衍生物作为高三重态能量双极主体材料。BTP衍生物有效地用作绿色和蓝色磷光有机发光二极管的主体材料，并且在绿色和蓝色器件中都实现了超过20％的高量子效率。

  DOI：

  10.1039/c2cc38049h
• 作为产物：
  描述：

  2-氨基-5-氯吡啶 在 碘 、 silver sulfate 作用下， 以 乙醇 为溶剂， 以86%的产率得到2-氨基-5-氯-3-碘吡啶
  参考文献：
  名称：

  The acid-catalysed synthesis of 7-azaindoles from 3-alkynyl-2-aminopyridines and their antimicrobial activity

  摘要：

  酸性条件下，即三氟乙酸（TFA）与三氟乙酸酐（TFAA）的混合物中，从3-炔基-2-氨基吡啶合成7-氮杂吲哚的方法已被报道。该方法合成了十五种7-氮杂吲哚，其中大部分在2-位和5-位含有取代基。这些化合物的多数被测试了其对一系列细菌和酵母的抗微生物活性。7-氮杂吲哚显示出对酵母的最佳活性，尤其是对新生隐球菌，观察到低至3.9 μg/ml−1的活性。

  DOI：

  10.1039/c3ob41798k
• 作为试剂：
  描述：

  碘 、 2-氨基-5-氯吡啶 在 silver(II) sulfate 2-氨基-5-氯-3-碘吡啶 、 crude residue 、 silica gel 、 乙酸乙酯 、 正庚烷 作用下， 以 乙醇 为溶剂， 以to give 3.71 g (64%) of 5-chloro-3-iodopyridin-2-amine as a beige solid的产率得到2-氨基-5-氯-3-碘吡啶
  参考文献：
  名称：

  NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES

  摘要：

  该发明提供了新型化合物及其作为药物的用途，更具体地用于预防或治疗神经退行性疾病，更具体地用于治疗某些神经系统疾病，如被称为tau病变的疾病以及由细胞毒性α-突触蛋白淀积所特征的疾病。本发明还涉及使用所述新型化合物制备用于治疗此类神经退行性疾病的药物。本发明还涉及包括所述新型化合物的制药组合物以及制备所述新型化合物的方法。该化合物具有公式（A1），其中R1、R2、R4、R5、R6、E、n、Y1、Y2、Y3、Y4、Y5、B、R8和m的定义如权利要求中所述。

  公开号：

  US20130289033A1

文献信息

• [EN] INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS D'INDOLAMIDE ET COMPOSÉS ASSOCIÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DES MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV LEUVEN KATH

  公开号：WO2010142801A1

  公开（公告）日：2010-12-16

  This invention provides novel compounds and the novel compounds for use as a medicine, more in particular for the prevention or treatment of neurodegenerative disorders, more specifically certain neurological disorders, such as disorders collectively known as tauopathies, and disorders characterised by cytotoxic α-synuclein amyloidogenesis. The present invention also relates to the use of said novel compounds for the manufacture of medicaments useful for treating such neurodegenerative disorders. The present invention further relates to pharmaceutical compositions including said novel compounds and to methods for the preparation of said novel compounds.

  本发明提供了新型化合物，以及这些新型化合物作为药物的使用，特别是用于预防或治疗神经退行性疾病，更具体地是一些神经系统疾病，例如统称为tauopathies的疾病，以及以细胞毒性α-突触核蛋白淀粉样蛋白生成为特征的疾病。本发明还涉及将所述新型化合物用于制造用于治疗此类神经退行性疾病的药物。本发明还涉及包括所述新型化合物的药物组合物，以及制备所述新型化合物的方法。
• [EN] SILYL SUBSTITUTED AZADIBENZOFURANS AND AZADIBENZOTHIOPHENES<br/>[FR] AZADIBENZOFURANES SUBSTITUÉS PAR SILYLE ET AZADIBENZOTHIOPHÈNES
  申请人：BASF SE

  公开号：WO2015114102A1

  公开（公告）日：2015-08-06

  The present invention relates to compounds of formula (I), which are characterized in that they are substituted by at least one group of formula (II) and in that at least one of the substituents B1, B2, B3, B4, B5, B6, B7 and B8 represents N; a process for their production and their use in electronic devices, especially electroluminescent devices. When used as electron transport material, hole blocking material and/or host material for phosphorescent emitters in electroluminescent devices, the compounds of formula I may provide improved efficiency, stability, manufacturability, or spectral characteristics of electroluminescent devices.

  本发明涉及公式（I）的化合物，其特征在于它们至少被一个公式（II）的组取代，且B1、B2、B3、B4、B5、B6、B7和B8中的至少一个代表N；它们的生产过程以及在电子设备中的用途，特别是在电致发光设备中的用途。当在电致发光设备中作为电子传输材料、空穴阻挡材料和对磷光发射器的宿主材料使用时，公式I的化合物可能会提供改进的电致发光设备的效率、稳定性、可制造性或光谱特性。
• PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS
  申请人：Hildbrand Stefan

  公开号：US20110028511A1

  公开（公告）日：2011-02-03

  According to the present invention there are provided novel processes for the manufacture of the compound of formula 1 as well as novel synthesis routes for key intermediates used in those processes.

  根据本发明提供了制备化合物1的新工艺，以及用于这些工艺中的关键中间体的新合成路线。
• 螺环2,3-二氢-7-氮杂吲哚化合物及其用途
  申请人：豪夫迈·罗氏有限公司

  公开号：CN113015526A

  公开（公告）日：2021-06-22

  本发明提供式(I)的螺环2,3‑二氢‑7‑氮杂吲哚化合物：所述式的变体的所述化合物，以及所述化合物作为HPK1(造血激酶1)抑制剂的用途。所述化合物可用于治疗HPK1依赖性疾患以及增强免疫应答。本公开还描述了抑制HPK1的方法、治疗HPK1依赖性疾患的方法、用于增强免疫应答的方法以及用于制备所述螺环2,3‑二氢‑7‑氮杂吲哚化合物的方法。
• [EN] NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] NOUVEAUX COMPOSÉS POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV LEUVEN KATH

  公开号：WO2012080221A1

  公开（公告）日：2012-06-21

  This invention provides novel compounds and the novel compounds for use as a medicine, more in particular for the prevention or treatment of neurodegenerative disorders, more specifically certain neurological disorders, such as disorders collectively known as tauopathies, and disorders characterised by cytotoxic α-synuclein amyloidogenesis. The present invention also relates to the use of said novel compounds for the manufacture of medicaments useful for treating such neurodegenerative disorders. The present invention further relates to pharmaceutical compositions including said novel compounds and to methods for the preparation of said novel compounds. The compounds have the formula (A1) wherein R1, R2, R4, R6, E, n, Y1, Y2, Y3, Y4, Y5, L, B, R8, and m are as defined in the claims.

  本发明提供了新型化合物，以及这些新型化合物作为药物的使用，特别是用于预防或治疗神经退行性疾病，更具体地是一些神经系统疾病，例如统称为tauopathies的疾病，以及以细胞毒性α-突触核蛋白淀粉样生成特征的疾病。本发明还涉及将所述新型化合物用于制造用于治疗此类神经退行性疾病的药物。本发明进一步涉及包括所述新型化合物的药物组合物以及制备所述新型化合物的方法。这些化合物的公式为(A1)，其中R1、R2、R4、R6、E、n、Y1、Y2、Y3、Y4、Y5、L、B、R8和m如权利要求中所定义。