4-氯-2-(甲巯基)嘧啶 | 334542-44-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 4-氯-2-(甲巯基)嘧啶
• 中文别名: 4-氯-2-甲硫基吡啶
• 英文名称: 4-chloro-2-pyridyl methyl sulfide
• 英文别名: 2-methylthio-4-chloropyridine；4-Chloro-2-(methylsulfanyl)pyridine；4-chloro-2-methylsulfanylpyridine
• CAS: 334542-44-8
• 化学式: C₆H₆ClNS
• mdl: MFCD11109868
• 分子量: 159.639
• InChiKey: KHEHQWVIKAHHKR-UHFFFAOYSA-N

物化性质

• 沸点：
  236.9±25.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-2-(methylsulfanyl)pyridine
Synonyms:

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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: 4-Chloro-2-(methylsulfanyl)pyridine
CAS number: 334542-44-8

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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.
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: C6H6ClNS
Molecular weight: 159.6

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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, sulfur oxides.

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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：

  2-(4,4-difluoroazepan-1-yl)-7-fluoroquinoline-3-carboxamide 、 4-氯-2-(甲巯基)嘧啶 在 BrettPhos Pd G3 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-(4,4-difluoroazepan-1-yl)-7-fluoro-N-(2-(methylthio)pyridin-4-yl)quinoline-3-carboxamide
  参考文献：
  名称：

  [EN] BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN
  [FR] INHIBITEURS D'AMIDES HÉTÉROCYCLIQUES BICYCLIQUES DE NA V1.8 POUR LE TRAITEMENT DE LA DOULEUR

  摘要：

  Provided herein are compounds of formula (I), pharmaceutical compositions comprising the compounds, methods of preparing the compounds, and methods of using the compounds and compositions in treating conditions associated with voltage-gated sodium channel function where the compounds are 1-206. (Formula (I))

  公开号：

  WO2023211990A1
• 作为产物：
  描述：

  4-氯吡啶 、 二甲基二硫 在 正丁基锂 作用下， 以 正己烷 、 四氢呋喃 为溶剂， 反应 2.0h， 以64%的产率得到4-氯-2-(甲巯基)嘧啶
  参考文献：
  名称：

  3-和4-氯吡啶的首次区域选择性C-2锂化

  摘要：

  我们已经证明 BuLi/LiDMAE 试剂促进了 3- 和 4- 氯吡啶的清洁和区域选择性 C2 锂化，而其他试剂如 LDA 或 BuLi/TMEDA 导致经典的邻位锂化产物或区域异构体的混合物。该方法已成功应用于各种活性2,3-和2,4-二取代吡啶的制备。

  DOI：

  10.1002/1099-0690(200102)2001:3<603::aid-ejoc603>3.0.co;2-2

文献信息

• N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Rodgers James D.

  公开号：US20100298334A1

  公开（公告）日：2010-11-25

  The present invention relates to N-(hetero)aryl-pyrrolidine derivatives of Formula I: which are JAK inhibitors, such as selective JAK1 inhibitors, useful in the treatment of JAK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及式I的N-(杂)芳基吡咯烷衍生物： 这些是JAK抑制剂，如选择性JAK1抑制剂，在治疗JAK相关疾病方面具有用处，例如炎症和自身免疫性疾病，以及癌症。
• [EN] PYRROLE mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS PYRROLES DE MTORC ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089493A1

  公开（公告）日：2018-05-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• Inhibitors of JNK
  申请人：Gong Leyi

  公开号：US20110034470A1

  公开（公告）日：2011-02-10

  The invention relates to JNK inhibitors and corresponding methods, formulations, and compositions for inhibiting JNK and treating JNK-mediated disorders. The application discloses JNK inhibitors, as described below in Formula I: wherein p, q, Y′, r, R 1 , R 2 , X, X 1 , X 2 , X 3 , and X 4 are as defined herein. The compounds and compositions disclosed herein are useful to modulate the activity of JNK and treat diseases associated with JNK activity. Disclosed are methods and formulations for inhibiting JNK and treating JNK-mediated disorders, and the like, with the compounds, and processes for making said compounds, and corresponding compositions, disclosed herein.

  该发明涉及JNK抑制剂及相应的用于抑制JNK和治疗JNK介导的疾病的方法、配方和组合物。该申请披露了如下所述的JNK抑制剂，其化学式如下： 其中p、q、Y'、r、R1、R2、X、X1、X2、X3和X4如本文所定义。本文披露的化合物和组合物可用于调节JNK的活性并治疗与JNK活性相关的疾病。本文还披露了用于抑制JNK和治疗JNK介导的疾病等的方法和配方，以及用于制备上述化合物的过程和相应的组合物。
• One-Pot Synthesis of Substituted Pyridines via the Vilsmeier-Haack Reaction of Acyclic Ketene-<i>S,S</i>-acetals
  作者：Qun Liu、Dewen Dong、Shaoguang Sun、Yingchun Liu、Yulong Zhao

  DOI：10.1055/s-2004-829547

  日期：——

  A one-pot synthesis of substituted pyridines from acyclic ketene-S,S-acetals containing α-acetyl, α-vinyl or α-ethynyl group via the Vilsmeier-Haack reaction has been developed.

  已经开发出通过 Vilsmeier-Haack 反应从含有 α-乙酰基、α-乙烯基或 α-乙炔基的无环烯酮-S,S-缩醛一锅法合成取代吡啶。
• TMSCH2Li–LiDMAE: a new nonnucleophilic reagent for C-2 lithiation of halopyridines
  作者：Abdelatif Doudouh、Philippe C. Gros、Yves Fort、Christopher Woltermann

  DOI：10.1016/j.tet.2006.04.059

  日期：2006.6

  A new superbasic reagent has been discovered by combining TMSCHL(2)i and LiDMAE in hexane. This reagent was found highly efficient for the C-2 lithiation of sensitive chloro- and fluoropyridines. The metallation occurred chemo- and regioselectively at 0 degrees C avoiding the nucleophilic addition or substrate degradation commonly obtained with other alkyllithiums even at lower temperatures. (c) 2006 Elsevier Ltd. All rights reserved.