3-氨基-2-氯-6-甲氧基吡啶 | 34392-85-3

• 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: 3-氨基-2-氯-6-甲氧基吡啶
• 中文别名: 2-氯-6-甲氧基吡啶-3-胺；2-氯-3-氨基-6-甲氧基吡啶
• 英文名称: 3-amino-2-chloro-6-methoxypyridine
• 英文别名: 5-amino-6-chloro-2-methoxypyridine；2-chloro-6-methoxypyridin-3-amine；2-chloro-6-methoxy-pyridin-3-ylamine
• CAS: 34392-85-3
• 化学式: C₆H₇ClN₂O
• mdl: MFCD09258809
• 分子量: 158.587
• InChiKey: AOGGRVIJAHZLFK-UHFFFAOYSA-N

物化性质

• 熔点：
  46-50 °C
• 沸点：
  276.7±35.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)
• 闪点：
  110 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933399090
• 安全说明：
  S26,S36/37/39
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H315,H318,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-2-chloro-6-methoxypyridine
Synonyms: 2-Chloro-6-methoxypyridin-3-amine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/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

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Amino-2-chloro-6-methoxypyridine
CAS number: 34392-85-3

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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.
Storage: Store in closed vessels.

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H7ClN2O
Molecular weight: 158.6

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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 chloride.

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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：

  3-氨基-2-氯-6-甲氧基吡啶 在 盐酸 、 sodium nitrite 、 copper(l) chloride 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.75h， 以41%的产率得到2,3-二氯-6-甲氧基吡啶
  参考文献：
  名称：

  9-Azabicyclo[3.3.1]nonane derivatives

  摘要：

  本发明涉及式I的9-氮杂双环[3.3.1]壬烷衍生物，其中每个取代基的定义如规范和索赔中所述，或其药学上可接受的盐或溶剂。该发明还涉及包含所述9-氮杂双环[3.3.1]壬烷衍生物的药物组合物及其在治疗中的应用。

  公开号：

  US20070112019A1
• 作为产物：
  描述：

  2-氯-6-甲氧基-3-硝基吡啶 在 potassium tert-butylate 、 异丙醇 、 联硼酸频那醇酯 作用下， 反应 2.0h， 以75%的产率得到3-氨基-2-氯-6-甲氧基吡啶
  参考文献：
  名称：

  在异丙醇中用B 2 pin 2将芳香族硝基化合物无金属还原为芳香胺

  摘要：

  通过将B 2 pin 2和KO t Bu在异丙醇中的组合，已实现了将芳族硝基化合物无金属还原为相应的胺。化学选择性地还原了一系列含有各种可还原官能团的硝基化合物，收率好至极好。

  DOI：

  10.1021/acs.orglett.6b01274

文献信息

• C–H Arylation of Heterocyclic <i>N</i>-Oxides Through <i>in Situ</i> Diazotisation Of Anilines without Added Promoters: A Green And Selective Coupling Process
  作者：Aymeric P. Colleville、Richard A. J. Horan、Sandrine Olazabal、Nicholas C. O. Tomkinson

  DOI：10.1021/acs.oprd.6b00117

  日期：2016.7.15

  A green and selective method for the generation of biaryl compounds through C–H arylation of heterocyclic N-oxides, in which the addition of ascorbic acid as a promoter is not required for either the generation of an aryldiazonium species or the subsequent arylation, is presented. Reaction conditions were optimized through multivariate data analysis, including orthogonal projections to latent structures

  提出了一种绿色的，选择性的方法，用于通过杂环N-氧化物的CH芳基化反应生成联芳基化合物，其中，芳基重氮化合物的生成或随后的芳基化反应均不需要添加抗坏血酸作为促进剂。 。通过多变量数据分析对反应条件进行了优化，包括对潜在结构的正交投影（OPLS）和实验设计（DoE）方法，从而进一步改善了可持续性，然后将其应用于一系列底物，以确定反应条件的范围和局限性。处理。使用原位研究反应提出了红外光谱学和一种机制，该机制解释了本研究和以前的研究中的可用数据。该反应还以克数进行，并进行了量热研究，以支持进一步扩大无启动子转化的规模。
• [EN] COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS<br/>[FR] COMPOSÉS CIBLANT DES PROTÉINES DE LIAISON À L'ARN OU DES PROTÉINES MODIFIANT L'ARN
  申请人：TWENTYEIGHT SEVEN INC

  公开号：WO2021178420A1

  公开（公告）日：2021-09-10

  The invention relates to a compound represented by Formula (I): or a pharmaceutically acceptable salt thereof, compositions comprising the same and methods of preparing and using the same. The variables are described herein.

  该发明涉及由化学式（I）表示的化合物，或其药用可接受盐，包括含有该化合物的组合物以及制备和使用该化合物的方法。这里描述了变量。
• Positive allosteric modulators of the nicotinic acetylcholine receptor
  申请人：——

  公开号：US20030236287A1

  公开（公告）日：2003-12-25

  The invention provides compounds of Formula I: 1 These compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful in pharmaceuticals used to treat diseases or conditions in which &agr;7 nAChR is known to be involved.

  这项发明提供了I式化合物： 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对治疗已知涉及α7 nAChR的疾病或症状的药物非常有用。
• Novel N-Linked Aminopiperidine-Based Gyrase Inhibitors with Improved hERG and in Vivo Efficacy against <i>Mycobacterium tuberculosis</i>
  作者：Shahul Hameed P、Vikas Patil、Suresh Solapure、Umender Sharma、Prashanti Madhavapeddi、Anandkumar Raichurkar、Murugan Chinnapattu、Praveena Manjrekar、Gajanan Shanbhag、Jayashree Puttur、Vikas Shinde、Sreenivasaiah Menasinakai、Suresh Rudrapatana、Vijayashree Achar、Disha Awasthy、Radha Nandishaiah、Vaishali Humnabadkar、Anirban Ghosh、Chandan Narayan、V. K. Ramya、Parvinder Kaur、Sreevalli Sharma、Jim Werngren、Sven Hoffner、Vijender Panduga、C. N. Naveen Kumar、Jitendar Reddy、Mahesh Kumar KN、Samit Ganguly、Sowmya Bharath、Ugarkar Bheemarao、Kakoli Mukherjee、Uma Arora、Sheshagiri Gaonkar、Michelle Coulson、David Waterson、Vasan K. Sambandamurthy、Sunita M. de Sousa

  DOI：10.1021/jm500432n

  日期：2014.6.12

  value. We describe a novel class of N-linked aminopiperidinyl alkyl quinolones and naphthyridones that kills Mtb by inhibiting the DNA gyrase activity. The mechanism of inhibition of DNA gyrase was distinct from the fluoroquinolones, as shown by their ability to inhibit the growth of fluoroquinolone-resistant Mtb. Biochemical studies demonstrated this class to exert its action via single-strand cleavage

  DNA促旋酶是开发抗结核分枝杆菌药物的临床验证靶标（MTB）。尽管有希望将氟喹诺酮类药物（FQs）用作抗结核药物，但先前对FQs耐药的流行很可能会限制其临床价值。我们描述了一种新型的N-连接的氨基哌啶基烷基喹诺酮类和萘啶酮类，通过抑制DNA促旋酶活性杀死Mtb。DNA促旋酶的抑制机制与氟喹诺酮类截然不同，其抑制氟喹诺酮类抗性Mtb生长的能力证明了这一点。生化研究表明，该类化合物通过单链裂解而不是双链裂解发挥作用，如氟喹诺酮类药物所见。这些化合物对细胞外和细胞内的Mtb具有高度的杀菌作用。铅的优化导致鉴定了具有改善的口服生物利用度并降低了心脏离子通道负担的有效化合物。该系列化合物在各种结核病鼠模型中均有效。
• Heterocyclic compounds as ligands of the GABAA receptor
  申请人：——

  公开号：US20030105081A1

  公开（公告）日：2003-06-05

  Disclosed are heterocyclic compounds of the formula 1 and the pharmaceutically acceptable salts thereof wherein the variables A, V, Y, J, E, X, T, G, Q, W, Z, b, n and m are defined herein. These compounds are highly selective agonists, antagonists or inverse agonists for GABA A brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABA A brain receptor.

  揭示了具有以下公式的杂环化合物及其药用可接受的盐，其中变量A、V、Y、J、E、X、T、G、Q、W、Z、b、n和m在此处被定义。这些化合物是GABA A 脑受体的高度选择性激动剂、拮抗剂或逆激动剂，或者是GABA A 脑受体的激动剂、拮抗剂或逆激动剂的前药。