4-羟基-3-碘吡啶 | 89282-03-1

• 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: 4-羟基-3-碘吡啶
• 中文别名: 3-碘吡啶-4-醇
• 英文名称: 3-iodo-pyridin-4-ol
• 英文别名: 3-Jod-4-hydroxy-pyridin；3-Iod-4-hydroxy-pyridin；4-hydroxy-3-iodopyridine；3-Iodopyridin-4-ol；3-iodo-1H-pyridin-4-one
• CAS: 89282-03-1
• 化学式: C₅H₄INO
• 分子量: 220.997
• InChiKey: YMAIMLIFWHAIKB-UHFFFAOYSA-N

物化性质

• 熔点：
  303 °C(Solv: water (7732-18-5))
• 沸点：
  336.1±22.0 °C(Predicted)
• 密度：
  2.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 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：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 危险类别码：
  R22
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  应存放在2-8°C环境中，避免光照，并保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Iodopyridin-4-ol
Synonyms: 3-Iodo-4-hydroxypyridine

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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: 3-Iodopyridin-4-ol
CAS number: 89282-03-1

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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, refrigerated.
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: C5H4INO
Molecular weight: 221.0

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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, hydrogen Iodide.

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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

反应信息

• 作为反应物：
  描述：

  4-羟基-3-碘吡啶 在 三氯氧磷 、 氨 、 水 作用下， 反应 4.0h， 以58%的产率得到4-氯-3-碘吡啶
  参考文献：
  名称：

  WO2008/46216

  摘要：

  公开号：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 potassium iodide 作用下， 生成 4-羟基-3-碘吡啶
  参考文献：
  名称：

  黄原酮和噻吨酮。第六部分 9-硫杂-3-氮杂蒽酮的制备及性质

  摘要：

  DOI：

  10.1039/jr9550002755

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：BIOCAD JOINT STOCK CO

  公开号：WO2018092047A1

  公开（公告）日：2018-05-24

  The present invention relates to a new compound of formula I: or pharmaceutically acceptable salt, solvate or stereoisomer thereof, wherein: V1 is C or N, V2 is C(R2) or N, whereby if V1 is C then V2 is N, if V1 is C then V2 is C(R2), or if V1 is N then V2 is C(R2); each n, k is independently 0, 1; each R2, R11 is independently H, D, Hal, CN, NR'R", C(O)NR'R", C1-C6 alkoxy; R3 is H, D, hydroxy, C(O)C1-C6 alkyl, C(O)C2-C6 alkenyl, C(O)C2-C6 alkynyl, C1-C6 alkyl; R4 is H, Hal, CN, CONR'R", hydroxy, C1-C6 alkyl, C1-C6 alkoxy; L is CH2, NH, O or chemical bond; R1 is selected from the group of the fragments, comprising: Fragment 1, Fragment 2, Fragment 3 each A1, A2, A3, A4 is independently CH, N, CHal; each A5, A6, A7, A8, A9 is independently C, CH or N; R5 is H, CN, Hal, CONR'R", C1-C6 alkyl, non-substituted or substituted by one or more halogens; each R' and R" is independently selected from the group, comprising H, C1-C6 alkyl, C1-C6 cycloalkyl, aryl; R6 is selected from the group: [formula II] each R7, R8, R9, R10 is independently vinyl, methylacetylenyl; Hal is CI, Br, I, F, which have properties of inhibitor of Bruton's tyrosine kinase (Btk), to pharmaceutical compositions containing such compounds, and their use as pharmaceuticals for treatment of diseases and disorder.

  本发明涉及一种新的化合物，其化学式为I：或其药学上可接受的盐、溶剂化合物或立体异构体，其中：V1为C或N，V2为C(R2)或N，如果V1为C，则V2为N，如果V1为C，则V2为C(R2)，或者如果V1为N，则V2为C(R2)；每个n，k独立地为0或1；每个R2，R11独立地为H，D，Hal，CN，NR'R"，C(O)NR'R"，C1-C6烷氧基；R3为H，D，羟基，C(O)C1-C6烷基，C(O)C2-C6烯基，C(O)C2-C6炔基，C1-C6烷基；R4为H，Hal，CN，CONR'R"，羟基，C1-C6烷基，C1-C6烷氧基；L为CH2，NH，O或化学键；R1从包括的片段组中选择：片段1，片段2，片段3，每个A1，A2，A3，A4独立地为CH，N，CHal；每个A5，A6，A7，A8，A9独立地为C，CH或N；R5为H，CN，Hal，CONR'R"，C1-C6烷基，未取代或被一个或多个卤素取代；每个R'和R"独立地从包括H，C1-C6烷基，C1-C6环烷基，芳基的组中选择；R6从组中选择：[化学式II]每个R7，R8，R9，R10独立地为乙烯基，甲基乙炔基；Hal为CI，Br，I，F，具有布鲁顿酪氨酸激酶（Btk）抑制剂的性质，以及含有这种化合物的药物组合物，以及它们作为治疗疾病和紊乱的药物的用途。
• Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease
  申请人：——

  公开号：US20030045540A1

  公开（公告）日：2003-03-06

  The invention provides compounds of Formula I: 1 where in W is 2 These compounds may be in the form of pharmaceutical salts or compositions, racemic mixtures, or pure enantiomers thereof. The compounds of Formula I are useful to treat diseases or conditions in which &agr;7 is known to be involved.

  这项发明提供了Formula I的化合物： 其中W为 这些化合物可以是药用盐或组合物的形式，也可以是消旋混合物或其纯对映体。Formula I的化合物可用于治疗已知涉及α7的疾病或症状。
• Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06541505B1

  公开（公告）日：2003-04-01

  This invention is directed to an (aminoiminomethyl or aminomethyl)benzoheteroaryl compound of formula I which is useful for inhibiting the activity of Factor Xa by combining said compound with a composition containing Factor Xa. The present invention is also directed to compositions containing compounds of the formula I, methods for their preparation, their use, such as in inhibiting the formation of thrombin or for treating a patient suffering from, or subject to, a disease state associated with a physiologically detrimental excess amount of thrombin.

  这项发明涉及一种化合物，其化学式为I，该化合物是(aminoiminomethyl或aminomethyl)benzoheteroaryl化合物，可通过将该化合物与含有凝血因子Xa的组合物结合来抑制凝血因子Xa的活性。本发明还涉及含有化合物I的组合物、其制备方法以及它们的用途，如用于抑制凝血酶的形成或用于治疗患有与生理上有害的凝血酶过量相关的疾病状态的患者。
• Synthesis of Long Oxahelicenes by Polycyclization in a Flow Reactor
  作者：Jindřich Nejedlý、Michal Šámal、Jiří Rybáček、Miroslava Tobrmanová、Florence Szydlo、Christophe Coudret、Maria Neumeier、Jaroslav Vacek、Jana Vacek Chocholoušová、Miloš Buděšínský、David Šaman、Lucie Bednárová、Ladislav Sieger、Irena G. Stará、Ivo Starý

  DOI：10.1002/anie.201700341

  日期：2017.5.15

  series of oxahelicenes composed of ortho/meta‐annulated benzene/pyridine and 2H‐pyran rings were synthesized on the basis of the cobalt(I)‐mediated (or rhodium(I)‐ or nickel(0)‐mediated) double, triple, or quadruple [2+2+2] cycloisomerization of branched aromatic hexa‐, nona‐, or dodecaynes, thus allowing the construction of 6, 9, or 12 rings in a single operation. The use of a flow reactor was found

  由邻位/间位环苯/吡啶和2 H组成的一系列氧杂泛烯吡喃环是在分支的芳族六环的钴（I）介导的（或铑（I）-或镍（0）介导的）[2 + 2 + 2]环异构化的两倍，三重或四重合成的基础上合成的，九碳烯或十二碳烯，因此可以在一次操作中构建6、9或12个环。发现使用流动反应器对于多环化反应是有益的。一些寡聚体中存在的立体异构中心控制了螺旋折叠，从而最终获得了对映体和非对映体纯形式的最终氧杂[9]-，[13]-，[17]-和[19]螺旋。具体来说，氧杂[19]螺旋烯在螺旋烯骨架的长度上打破了目前的记录。单分子电导率通过吡a醇[9]螺旋的机械可控断裂连接方法进行了研究。
• Copper- and Ligand-free Heteroannulation of<i>o</i>-Halohydroxypyridine with Terminal Alkynes Using Pd/C Catalyst: One-Pot Synthesis of 2-Substituted Furopyridines and their Functionalization
  作者：Hee Jung Park、Ji-Eun Kim、Eul Kgun Yum、Young Hoon Kim、Chang-Woo Han

  DOI：10.1002/bkcs.10052

  日期：2015.1

  3‐b]pyridine and furo[3,2‐c]pyridine were prepared using Pd/C‐catalyzed heteroannulation of o‐halopyridinols and terminal alkynes under copper‐ and ligand‐free conditions. We also demonstrated that double functionalization yielding 2,3‐disubstituted furopyridines could be achieved through heteroannulation followed by bromination and Suzuki/Heck reactions. In addition, the use of recoverable Pd/C in the absence

  使用Pd / C催化的邻卤代吡啶并异氰酸酯化制备三种类型的2-取代的呋喃并[3,2- b ]吡啶，呋喃[2,3– b ]吡啶和呋喃[3,2– c ]吡啶。无铜和无配体条件下的末端炔烃。我们还证明，通过异环化，随后进行溴化和Suzuki / Heck反应，可以实现产生2,3-二取代的呋喃吡啶的双重功能化。另外，在不存在助催化剂和配体的情况下使用可回收的Pd / C可有助于开发更绿色的化学工艺。