3-氯吡啶-2-甲醛 | 206181-90-0

• 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-氯吡啶-2-甲醛
• 中文别名: 3-氯-4-醛基吡啶；3-氯-2-醛基吡啶；3-氯-2-吡啶甲醛
• 英文名称: 3-chloropicolinaldehyde
• 英文别名: 3-chloropyridine-2-carbaldehyde；3-chloro-2-formylpyridine；3-Chloropyridine-2-carboxaldehyde
• CAS: 206181-90-0
• 化学式: C₆H₄ClNO
• 分子量: 141.557
• InChiKey: QXNVCYJXFQPEKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  202℃
• 密度：
  1.332
• 闪点：
  76℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 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：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品运输编号：
  UN 1198 3/PG 3
• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-2-formylpyridine
Synonyms: 3-Chloropyridine-2-carboxaldehyde

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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-Chloro-2-formylpyridine
CAS number: 206181-90-0

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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: C6H4ClNO
Molecular weight: 141.6

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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-氯吡啶-2-甲醛 在 三乙烯二胺 、 水 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 3.0h， 生成 5-(8-chloroindolizine-2-carbonyl)-N-{1-[(difluoromethoxy)methyl]cyclopropyl}-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-3-carboxamide
  参考文献：
  名称：

  [EN] NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV)
  [FR] NOUVEAUX INDOLIZINE-2-CARBOXAMIDES ACTIFS CONTRE LE VIRUS DE L'HÉPATITE B (VHB)

  摘要：

  本发明一般涉及新型抗病毒剂。具体地，本发明涉及能够抑制乙型肝炎病毒（HBV）编码的蛋白质或干扰HBV复制周期功能的化合物，包括这种化合物的组合物，抑制HBV病毒复制的方法，治疗或预防HBV感染的方法，以及制备这些化合物的工艺和中间体。

  公开号：

  WO2020221824A1
• 作为产物：
  描述：

  3-氯-2-乙烯基吡啶 在 四氧化锇 、 sodium periodate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.5h， 以52%的产率得到3-氯吡啶-2-甲醛
  参考文献：
  名称：

  [EN] BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS CÉTONIQUES BICYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  这项发明提供了具有通式（I）的新化合物：（I）其中R1，A环和B环如本文所述，包括这些化合物的药物组合物，以及使用这些化合物的方法。

  公开号：

  WO2019012063A1

文献信息

• 有机电致发光装置及用于有机电致发光装置的胺化合物
  申请人：三星显示有限公司

  公开号：CN110964006A

  公开（公告）日：2020-04-07

  根据本公开内容的实施方案的有机电致发光装置包括第一电极、与所述第一电极相对的第二电极以及在所述第一电极与所述第二电极之间的至少一个有机层，其中所述至少一个有机层包含由式1表示的胺化合物，并且式1中的HT包含由式2表示的吡啶并吲哚部分。当在所述有机电致发光装置中包含所述由式1表示的胺化合物时，可以实现改善的装置效率和寿命特性。式1式2
• Substituted Pyrrolidines and Methods of Use
  申请人：AbbVie S.à.r.l.

  公开号：US20180099931A1

  公开（公告）日：2018-04-12

  The invention discloses compounds of Formula (I) wherein R 1 , R 2 , R 2A , R 3 , R 3A , R 4 , R 4A , and R 5 are as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention.

  该发明公开了式（I）的化合物 其中R 1 ，R 2 ，R 2A ，R 3 ，R 3A ，R 4 ，R 4A 和R 5 如本文所定义。本发明涉及化合物及其在囊性纤维化治疗中的应用，其生产方法，包含相同化合物的药物组合物，以及通过给予该发明的化合物来治疗囊性纤维化的方法。
• [EN] HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS D'HÉTÉROARYL-PYRIMIDINONE EN TANT QU'INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2016179059A1

  公开（公告）日：2016-11-10

  The present invention is directed to substituted pyrimidinone compounds of formula (I) which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

  本发明涉及一种具有以下式（I）的取代嘧啶酮化合物，其可用作治疗与磷酸二酯酶2（PDE2）相关的中枢神经系统疾病的治疗剂。本发明还涉及利用这类化合物治疗神经系统和精神疾病，如精神分裂症、精神病、帕金森病、帕金森病痴呆（PDD）或亨廷顿病，以及与纹状体功能不足或基底神经节功能障碍相关的疾病。
• [EN] QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS<br/>[FR] ANTAGONISTES DE P2X7 SUBSTITUÉS PAR UNE QUINOLINE OU ISOQUINOLINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009132000A1

  公开（公告）日：2009-10-29

  The present invention is related to novel compounds of formula (I) having P2X7 antagonistic properties, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment or prophylaxis of diseases associated with P2X7 receptor activity in animals, in particular humans. (I)

  本发明涉及具有P2X7拮抗性质的式（I）的新化合物，包括这些化合物的药物组合物，用于制备这些化合物的化学过程以及它们在治疗或预防与动物（特别是人类）P2X7受体活性相关的疾病中的用途。 (I)
• [EN] CXCR7 RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RÉCEPTEUR DE CXCR7
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2014191929A1

  公开（公告）日：2014-12-04

  The present invention relates to derivatives of formula (I) Formula (I) wherein (R1)n, R 2a, R 2b, R 3a, R 3b, R 4, L1, L2, X, Y and Ar1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as CXCR7 receptor modulators.

  本发明涉及公式（I）的衍生物 公式（I）其中（R1）n，R 2a，R 2b，R 3a，R 3b，R 4，L1，L2，X，Y 和 Ar1 如描述中所述，其制备方法，其药学上可接受的盐，以及其作为药物的用途，含有一个或多个公式（I）化合物的药物组合物，特别是其作为CXCR7受体调节剂的用途。