2,2'-联(1,8-萘啶) | 69110-33-4

• 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: 2,2'-联(1,8-萘啶)
• 英文名称: 2,2'-bi(1,8-naphthyridine)
• 英文别名: 2-(1,8-naphthyridin-2-yl)-1,8-naphthyridine
• CAS: 69110-33-4
• 化学式: C₁₆H₁₀N₄
• 分子量: 258.282
• InChiKey: OGSULPWGXWPZOJ-UHFFFAOYSA-N

物化性质

• 熔点：
  227 °C
• 沸点：
  480.9±40.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  常温常压下稳定，应远离氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

SDS

2,2'-Bi(1,8-naphthyridine)
SAFETY DATA SHEET

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Section 1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER
Product name: 2,2'-Bi(1,8-naphthyridine)

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
None
Pictograms or hazard symbols
Signal word No signal word
None
Hazard statement
Precautionary statements None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): 2,2'-Bi(1,8-naphthyridine)
Percent: ....
CAS Number: 69110-33-4
Chemical Formula: C16H10N4

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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.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. 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.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: 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.
2,2'-Bi(1,8-naphthyridine)

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Section 5. FIRE-FIGHTING MEASURES
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
Handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
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.
Storage
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

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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.
Protective gloves.
Hand protection:
Eye protection: Safety glasses. A face-shield, if the situation requires.
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
Form: crystal - powder
Yellow - Deep green
Color:
Odor: No data available
pH: No data available
Melting point/freezing point:227 °C
Boiling Point/Range: No data available
Flash Point: No data available
Explosive limits
Lower: No data available
No data available
Upper:
Density: No data available
No data available
Solubility:

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
Products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
2,2'-Bi(1,8-naphthyridine)

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Section 11. TOXICOLOGICAL INFORMATION
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
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

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): 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：

  2,2'-联(1,8-萘啶) 在 盐酸 作用下， 生成
  参考文献：
  名称：

  氮原子质子化诱导的双喹啉衍生物的结构、原子电荷、发射特性和 DFT 研究

  摘要：

  我们制备了单质子化化合物系列，包括 dmphenHCl ( [1H]Cl )、dmbpyHCl ( [2H]Cl )、dmbpyHPF 6 ( [2H]PF 6 )、bqnHCl ( [3H]Cl )、bqnHPF 6 ( [3H]PF 6 ) ，dmbqnHPF 6（[4H] PF 6），naphthyridineHPF 6（[5H] PF 6）和phenazineHPF 6（[6H] PF 6），并阐明的晶体结构- [1H]氯，[2H]氯，[2H] PF 6 , [4H]PF 6 , [5H]PF 6和[6H]PF 6. 质子化化合物的密度泛函理论 (DFT) 计算涉及1, [1H]Cl, [1H]PF 6 , 2, [2H]Cl, [2H] + , 3, [3H]Cl, [3H] + , 4 , [4H] + , 5, [5H] + , 6和[6H] +随后进行。此外，进行了瞬态 DFT

  DOI：

  10.1016/j.molstruc.2021.131990
• 作为产物：
  描述：

  1,8-萘啶 在 2,2,6,6-四甲基哌啶 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以90%的产率得到2,2'-联(1,8-萘啶)
  参考文献：
  名称：

  二氮杂萘通过CH取代的一锅均和交叉偶联：双和三重氮杂萘的合成

  摘要：

  仅使用四甲基哌啶锂（LiTMP）试剂研究了未活化的重氮萘的无过渡金属偶联反应。对称和不对称的双二氮杂萘通过相关单体的均相和交叉偶联以中等至高收率合成。另外，使用适当当量的LiTMP进行了二喹喔啉[2,3-a：2'，3'c]吩嗪和2,2'：3'，2''-terquinoxaline的一步合成。通过NMR光谱和HRMS光谱对产物进行表征。

  DOI：

  10.1002/jhet.4111

文献信息

• LUMINESCENT SILVER COMPLEXES
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2360162A1

  公开（公告）日：2011-08-24

  An luminescent device material which is inexpensive and exhibits excellent durability in the presence of oxygen can be provided using a luminescent silver complex which has an organic multidentate ligand, particularly, a luminescent silver complex wherein the organic multidentate ligand is coordinated to a phosphorus atom, a nitrogen atom, an oxygen atom, a sulfur atom, an arsenic atom, an oxygen anion, a nitrogen anion, or a sulfur anion, or a polymer of the luminescent silver complex.

  可以使用含有有机多齿配体的发光银配合物来提供一种在氧气存在的情况下具有极好耐久性且价格低廉的发光器件材料，特别是一种含有有机多齿配体的发光银配合物，其中有机多齿配体与磷原子、氮原子、氧原子、硫原子、砷原子、氧负离子、氮负离子或硫负离子配位，或者是该发光银配合物的聚合物。
• Copper(II) complexes of 3,3′-annelated 2,2′-bi[1,8]naphthyridine
  作者：Madeleine Draux、Ivan Bernal、Francois Lefoulon、Randolph Thummel

  DOI：10.1016/s0020-1693(00)86772-9

  日期：1985.11

  Cu(L)Cl2(H2O). Crystals are monoclinic, space group P21/n, with a = 8.934(3), b = 11.427(4), c, = 17.382(5) Å and β = 103.65(3)°; V = 1724.5 Å3 and D (cal; z = 4) = 1.68 gm cm−3. Final R and Rw factors were 0.0523 and 0.0497, respectively, for 2260 reflections having I > 3σ(I). The central Cu(II) ion is five-coordinate as a result of its being bound by the two central nitrogens of the heterocyclic ligand, two chlorides

  由配体（L）= 2,2'-联[1,8]萘啶及其3,3'-二亚甲基-，3,3'-三亚甲基-和3,3'制备的四种单核Cu（II）配合物通过ESR光谱研究了-四亚甲基桥连的衍生物，并且对组成为Cu（L）Cl 2（H 2 O）的二亚甲基桥连的化合物进行了单晶X射线衍射分析。晶体是单斜晶体，空间群P 2 1 / n，a = 8.934（3），b = 11.427（4），c，= 17.382（5）Å，β= 103.65（3）°；V = 1724.5埃3和d（CAL; Ž = 4）= 1.68克厘米-3。对于具有I >3σ（I）的2260次反射，最终的R和R w因子分别为0.0523和0.0497 。中心的Cu（II）离子是五配位的，这是由于它被杂环配体的两个中心氮原子，两个氯化物和一个水以扭曲的三角双锥体排列方式束缚，其畸变的性质主要是由于小咬合齿（77.1°）。提出了相似的，五配位的三角双锥体Cu（
• COMPOUNDS AND METHODS INVOLVING STEROLS
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20160159848A1

  公开（公告）日：2016-06-09

  Compounds and methods of synthesizing oxysterols are provided. The compounds and methods provided allow the oxysterol to be safely produced at a high yield. The compounds and methods provided can produce the oxysterol in a stereoselective manner.

  提供了合成醇固醇类化合物和方法。提供的化合物和方法使得醇固醇能够以高产率安全地生产。提供的化合物和方法可以以立体选择性方式产生醇固醇。
• METHODS FOR THE SEPARATION AND DETECTION OF AN OXYSTEROL
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20170273990A1

  公开（公告）日：2017-09-28

  Assay methods for determining purity of a sample of a sterol are provided. These methods include providing an HPLC eluent including a sterol, other compounds related to the sterol and a mobile volatile phase; generating an aerosol of liquid droplets from the HPLC eluent; drying the liquid droplets to obtain residue particles of the sterol; contacting the residue particles of the sterol with an ion stream which applies a size-dependent electrical charge to each of the residue particles to generate an electrical signal and measuring the electrical signal to determine the purity of the sterol in the sample. The sterol can be OXY133 or OXY133 monohydrate.

  提供了用于确定甾醇样品纯度的测定方法。这些方法包括提供包含甾醇、与甾醇相关的其他化合物和移动挥发相的HPLC洗脱剂；从HPLC洗脱剂中产生液滴的气溶胶；将液滴干燥以获得甾醇的残留颗粒；将甾醇的残留颗粒与施加大小相关电荷的离子流接触，以产生电信号并测量电信号以确定样品中甾醇的纯度。该甾醇可以是OXY133或OXY133单水合物。
• POLYMORPHIC FORMS OF AN OXYSTEROL AND METHODS OF MAKING THEM
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20180162900A1

  公开（公告）日：2018-06-14

  Compositions and methods for preparing OXY133 polymorphs Form C to Form I are provided. The methods include subjecting a slurry of OXY133 to conditions sufficient to convert OXY133 to the OXY133 polymorph Form C, polymorph Form D, polymorph Form E, polymorph Form F, polymorph Form G, polymorph Form H, polymorph Form I or a mixture thereof. A polymorph of OXY133 is also provided and that polymorph can be polymorph Form C, polymorph Form D, polymorph Form E, polymorph Form F, polymorph Form G, polymorph Form H, polymorph Form I or a mixture thereof. Pharmaceutical compositions including OXY133 polymorphs are also provided.

  提供了用于制备OXY133多型体C到多型体I的组合物和方法。方法包括将OXY133的悬浮液置于足以将OXY133转变为OXY133多型体C、多型体D、多型体E、多型体F、多型体G、多型体H、多型体I或二者的混合物的条件下。还提供了OXY133的多型体，该多型体可以是多型体C、多型体D、多型体E、多型体F、多型体G、多型体H、多型体I或二者的混合物。还提供了包含OXY133多型体的药物组合物。

表征谱图