4-硝基-2-甲酸吡啶 | 13509-19-8

• 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-硝基-2-甲酸吡啶
• 中文别名: 4-硝基吡啶甲酸；4-硝基吡啶-2-甲酸；4-硝基-2-吡啶甲酸
• 英文名称: 4-nitropyridine-2-carboxylic acid
• 英文别名: 4-nitropicolinic acid；4-nitro-2-pyridinecarboxylic acid
• CAS: 13509-19-8
• 化学式: C₆H₄N₂O₄
• mdl: MFCD00191562
• 分子量: 168.109
• InChiKey: USTVSOYPMQZLSA-UHFFFAOYSA-N

物化性质

• 熔点：
  153℃
• 沸点：
  384.9±27.0 °C(Predicted)
• 密度：
  1.570

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温下，在惰性气体保护条件下进行实验。

SDS

4-Nitropyridine-2-carboxylic Acid Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-Nitropyridine-2-carboxylic Acid

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-Nitropyridine-2-carboxylic Acid
Percent: >98.0%(T)
CAS Number: 13509-19-8
Synonyms: 4-Nitropicolinic Acid
C6H4N2O4
Chemical Formula:

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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.
4-Nitropyridine-2-carboxylic Acid

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. 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.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: 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.
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
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
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.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store away from incompatible materials such as oxidizing agents.
Hygroscopic
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
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
4-Nitropyridine-2-carboxylic Acid

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Form: Crystal- Powder
Colour: White - Pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible 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
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
No data available
Soil adsorption (Koc):
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
4-Nitropyridine-2-carboxylic Acid

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Section 14. TRANSPORT INFORMATION
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
and revised on February 16,2011): 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：

  4-硝基-2-甲酸吡啶 在 N-picolynoyl-9-amino-9-deoxy-epi-cinchonine 、 diethylzinc 、 sodium 、 sodium carbonate 、 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 、 甲苯 、 苯 为溶剂， 反应 29.0h， 生成 diphenyl (1R,2R)-2-(4-methoxypicolinamido)cyclopentylphosphonate
  参考文献：
  名称：

  Cinchona Alkaloid Amides/Dialkylzinc Catalyzed Enantioselective Desymmetrization of Aziridines with Phosphites

  摘要：

  The first highly enantioselective desymmetrization of aziridines with phosphites has been developed. Excellent yields and enantio-selectivities were observed for the reaction with various aziridines using a new class of readily accessible chiral catalysts derived from 9-amino-9-deoxy-epi-cinchonas alkaloids. In studies probing the reaction mechanism, we observed some complexes for the cinchona alkaloid amide-Zn(II) by ESI-MS analysis

  DOI：

  10.1021/ja309963w
• 作为产物：
  描述：

  4-硝基吡啶-N-氧化物 在 硫酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 6.0h， 生成 4-硝基-2-甲酸吡啶
  参考文献：
  名称：

  单组分NO螯合的芳基镍（II）络合物作为乙烯聚合和CO /乙烯共聚催化剂。配体引起的反应途径变化的例子

  摘要：

  [NiR（NO）L] [NO = 4-硝基吡啶-2-羧酸（4-NO 2 -pyca）类型，R =邻甲苯基，L = PPh 3；NO = 2-吡嗪羧酸酯（pyzca），R =邻甲苯基，L = PPh 3 ; 制备并表征了NO ＝ 4-甲氧基吡啶-2-羧酸酯（4-MeO-pyca），R ＝邻甲苯基，L ＝ PPh 3 ]。配合物[Ni（邻甲苯基）（pyca）PPh 3 ]，1和同构类似物[Ni（邻甲苯基）（4-NO 2 -pyca）PPh 3 ]，3的单晶X射线研究，显示有关镍中心预期正方平面配位，与吡啶氮是反式，为两种化合物的膦配体。两种络合物的配位域非常相似，对于包含4-NO 2 -pyca配体的络合物3，Ni-N键没有伸长。在复杂的3所述ø甲苯基配体是无序在两个位点指示的存在下，在固体状态中，两个构象异构体，其中Ò的甲基团ö-tolyl位于协调平面的任一侧。具有取代的pyca配体的配合物

  DOI：

  10.1016/s0022-328x(96)06953-7

文献信息

• Novel pyridine derivative and pyrimidine derivative
  申请人：Matsushima Tomohiro

  公开号：US20050277652A1

  公开（公告）日：2005-12-15

  A compound represented by the following formula, a salt thereof or a hydrate of the foregoing has an excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity and cancer metastasis inhibitory activity. [R 1 represents C 1-6 alkyl or the like; R 2 and R 3 represent hydrogen; R 4 , R 5 , R 6 , and R 7 may be the same or different and each represents hydrogen, halogen, C 1-6 alkyl or the like; R 8 represents hydrogen or the like; R 9 represents C 1-6 alkyl or the like; V 1 represents oxygen or the like; V 2 represents oxygen or sulfur; W represents —NH— or the like; X represents —CH═, nitrogen or the like; and Y represents oxygen or the like.]

  以下化合物的分子式，其盐或前述水合物具有出色的肝细胞生长因子受体（HGFR）抑制活性，并表现出抗肿瘤活性、抑制血管生成活性和抑制癌转移活性。 [R 1 代表C 1-6 烷基或类似物；R 2 和R 3 代表氢；R 4 ，R 5 ，R 6 和R 7 可以相同也可以不同，每个代表氢、卤素、C 1-6 烷基或类似物；R 8 代表氢或类似物；R 9 代表C 1-6 烷基或类似物；V 1 代表氧或类似物；V 2 代表氧或硫；W代表—NH—或类似物；X代表—CH═、氮或类似物；Y代表氧或类似物。]
• [EN] INHIBITORS OF CBL-B AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE CBL-B ET LEURS PROCÉDÉS D'UTILISATION
  申请人：NURIX THERAPEUTICS INC

  公开号：WO2019148005A1

  公开（公告）日：2019-08-01

  Compounds, compositions, and methods for use in inhibiting the E3 enzyme Cbl-b in the ubiquitin proteasome pathway are disclosed. The compounds, compositions, and methods can be used to modulate the immune system, to treat diseases amenable to immune system modulation, and for treatment of cells in vivo, in vitro, or ex vivo.

  揭示了用于抑制泛素蛋白酶体途径中的E3酶Cbl-b的化合物、组合物和使用方法。这些化合物、组合物和方法可用于调节免疫系统，治疗适合免疫系统调节的疾病，并用于体内、体外或体外细胞的治疗。
• [EN] AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS<br/>[FR] COMPOSÉS ARYLE OU HÉTÉROARYLE À SUBSTITUTION AMINE UTILISÉS COMME INHIBITEURS DE EHMT1 ET EHMT2
  申请人：EPIZYME INC

  公开号：WO2017181177A1

  公开（公告）日：2017-10-19

  The present disclosure relates to amine-substituted aryl or heteroaryl compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted aryl or heteroaryl compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及氨基取代的芳基或杂芳基化合物。本公开还涉及包含这些化合物的药物组合物，以及通过向需要治疗的受试者施用本公开的氨基取代的芳基或杂芳基化合物或其药物组合物，来治疗疾病（例如，镰状细胞性贫血）的方法，该方法通过抑制从EHMT1和EHMT2选择的甲基转移酶酶。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• Co(II)-Catalyzed Regioselective Cross-Dehydrogenative Coupling of Aryl C–H Bonds with Carboxylic Acids
  作者：Jianyong Lan、Haisheng Xie、Xiaoxia Lu、Yuanfu Deng、Huanfeng Jiang、Wei Zeng

  DOI：10.1021/acs.orglett.7b01942

  日期：2017.8.18

  A cobalt(II)-catalyzed regioselective aryl C–H bond oxygenation between arenes and aryl or aliphatic carboxylic acids under bidendate-chelation assistance is developed. This method provides an efficient approach to acyoxy-substituted arenes with a broad range of functional group tolerance. Furthermore, this reaction system could be further applied to the preparation of polyfunctional naphthylenes.

  在二齿螯合螯合辅助下，开发了钴（II​​）催化的芳烃与芳基或脂肪族羧酸之间的区域选择性芳基C–H键氧合反应。该方法为具有宽泛的官能团耐受性的酰氧基取代的芳烃提供了一种有效的方法。此外，该反应体系可以进一步应用于多官能萘的制备。
• Stereodirecting Effect of C3-Ester Groups on the Glycosylation Stereochemistry of L-Rhamnopyranose Thioglycoside Donors: Stereoselective Synthesis of α- and β-L-Rhamnopyranosides
  作者：Jin-Cai Lei、Yu-Xiong Ruan、Sheng Luo、Jin-Song Yang

  DOI：10.1002/ejoc.201901186

  日期：2019.10.9

  tuning effect of C3‐ester groups on the glycosylation stereochemistry of Lrhamnopyranose (L‐Rha) ethyl thioglycosides is described. The 3‐O‐arylcarbonyl or levulinoyl carrying L‐Rha thioglycosides undergo highly α‐selective glycosylation while the glycosylation of the 3‐O‐4‐nitropicoloyl and 2‐pyrazinecarbonyl L‐Rha thioglycosides displays β‐stereoselectivity

  描述了C3-酯基团对Lrhamnopyranose（L-Rha）乙基硫代糖苷的糖基化立体化学的调节作用。带有L-Rha硫糖苷的3-O-芳基羰基或乙酰丙酰基经历高度α-选择性糖基化作用，而3-O-4-亚硝基甲酰基和2-吡嗪羰基L-Rha硫糖苷的糖基化表现出β-立体选择性